SCHEMBL8404449

SCHEMBL8404449

Cc1ccc2cnncc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2A6 P11509 1/20 0.50
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
PDE3B Q13370 4/20 0.33
PDE3A Q14432 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PDE2A O00408 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL5495366 0.79 IMPDH2 (0.33) TSHRCYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL22045587 0.78 KDM4E (0.34) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL18630367 0.76
SCHEMBL21872087 0.76 NOS3 (0.37) KDM4ENOS3NOS2
SCHEMBL8404446 0.75 CYP1A2 (0.47) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL8404560 0.75 CYP1A2 (0.50) TSHRCYP1A2CYP2A6ALDH1A1CYP3A4
SCHEMBL5364164 0.73 ALDH1A1 (0.52) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL14599176 0.73 ALDH1A1 (0.34) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL27109625 0.73 CYP1A2 (0.39) TSHRCYP1A2CYP2A6CCR1CCR5
SCHEMBL8404561 0.71 CYP2A6 (0.52) TSHRCYP1A2CYP2A6CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067664-A1 Organic Compound, Light-Emitting Device, Display Device, Electronic Device, Light-Emitting Apparatus, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-02-29 US disclosed
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 US disclosed
US-10249830-B2 Carbazole-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-04-02 US disclosed
US-20170077419-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 US disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
EP-2218716-B1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-11-16 EP disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
WO-2013051625-A1 METHOD FOR PRODUCING MEGAKARYOCYTES AND/OR PLATELETS FROM PLURIPOTENT STEM CELLS 日産化学工業株式会社 (JP) 2013-04-11 WO disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
EP-2439204-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER Nissan Chemical Industries, Ltd. (JP) 2012-04-11 EP 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

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

For each of this compound's patents that has machine-readable text (7 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 TSHR 2617/4885CYP1A2 2162/4885CYP2A6 2056/4885
US-10249830-B2 Carbazole-based compound and organic light-emitting device including the same OCIAD1, OXA1L, OCIAD2 TSHR 4248/4885CYP1A2 42/4885CYP2A6 923/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 TSHR 2617/4885CYP1A2 2162/4885CYP2A6 2056/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 TSHR 2770/4885CYP1A2 2808/4885CYP2A6 2755/4885
US-20240067664-A1 Organic Compound, Light-Emitting Device, Display Device, Electronic Device, Light-Emitting Apparatus, and Lighting Device CCND1, CCND2, DRD1 TSHR 1869/4885CYP1A2 90/4885CYP2A6 488/4885
US-20170077419-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OCIAD1, OXA1L, CYP1A1 TSHR 4100/4885CYP1A2 42/4885CYP2A6 786/4885
US-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 TSHR 136/4885CYP1A2 521/4885CYP2A6 396/4885

“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.