SCHEMBL8404359

SCHEMBL8404359

Cc1cccc2scc(C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.37
CMA1 P23946 3/20 0.37
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32
ADORA2A P29274 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
TRPA1 O75762 2/20 0.31
CD44 P16070 1/20 0.31
ATM Q13315 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6327715 0.82 ALDH1A1 (0.41) CTSGCMA1CYP2A6CYP1A2ALDH1A1
SCHEMBL4298612 0.80 CTSG (0.37) CTSGCMA1CYP2A6CYP1A2ALDH1A1
SCHEMBL28481670 0.80 TRPA1 (0.41) CTSGCMA1CYP2A6CYP1A2ALDH1A1
SCHEMBL17140136 0.80 CTSG (0.35) CTSGCMA1CYP2A6CYP1A2ALDH1A1
SCHEMBL2092710 0.80 CYP2A6 (0.33) CYP2A6MAPT
SCHEMBL23980164 0.80 ACHE (0.39) CTSGCMA1CYP2A6CYP1A2ALDH1A1
SCHEMBL2091686 0.80 MRGPRX1 (0.40) CYP2A6ALDH1A1TSHRACHEMAPT
SCHEMBL2088114 0.80 CA2 (0.44) CYP2A6CYP1A2ALDH1A1CA2MAPT
SCHEMBL20787934 0.80 CTSG (0.35) CTSGCMA1CYP2A6CYP1A2ALDH1A1
SCHEMBL2092548 0.80 CYP2A6 (0.41) CYP2A6CYP1A2ALDH1A1TSHRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339302-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2018-06-27 EP claimed
US-20170190694-A1 PYRIDINE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2017-07-06 US claimed
EP-2944633-A1 PYRIDINE DERIVATIVE Teijin Pharma Limited (JP) 2015-11-18 EP claimed
US-20240239824-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240244858-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US disclosed
US-20240237507-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2024-07-11 US disclosed
US-20240224785-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-04 US disclosed
US-20240224786-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-04 US disclosed
US-20240074303-A1 DISPLAY APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
US-20240074300-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
US-20240067669-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 WO disclosed
WO-2010140685-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER 日産化学工業株式会社 (JP) 2010-12-09 WO disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
EP-2218716-A1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-08-18 EP disclosed
US-20090192154-A1 SULTAM DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-30 US disclosed
EP-1249450-B1 BENZIMIDAZOLE DERIVATIVES AS HUMAN CHYMASE INHIBITORS TEIJIN PHARMA LTD (JP) 2007-10-10 EP disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240067669-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE C1S, CHRM1, C1R CTSG 2109/4885CMA1 1364/4885CYP2A6 1378/4885
US-20240074300-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE C1S, C1R, CHRM1 CTSG 2929/4885CMA1 1528/4885CYP2A6 2211/4885
US-20240224786-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CHRM1, CHRM4, CYBA CTSG 2351/4885CMA1 1058/4885CYP2A6 569/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 CTSG 1803/4885CMA1 49/4885CYP2A6 764/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CTSG 3484/4885CMA1 1307/4885CYP2A6 2755/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 CTSG 418/4885CMA1 48/4885CYP2A6 879/4885
US-20240224785-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE C1S, CHRM1, C5 CTSG 1859/4885CMA1 837/4885CYP2A6 643/4885
US-20240244858-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, CRY2, C1S CTSG 3174/4885CMA1 1879/4885CYP2A6 1318/4885
US-20240239824-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE C1S, CHRM1, L1CAM CTSG 2375/4885CMA1 1599/4885CYP2A6 1246/4885
US-20170190694-A1 PYRIDINE DERIVATIVE HPRT1, XDH, NUDT1 CTSG 4282/4885CMA1 2304/4885CYP2A6 1634/4885
US-20240237507-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE L1CAM, MSL1, EML4 CTSG 3623/4885CMA1 2801/4885CYP2A6 1325/4885
US-20090192154-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, ADAMTS1 CTSG 1054/4885CMA1 207/4885CYP2A6 1111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.