SCHEMBL4533675

SCHEMBL4533675

Cc1ccccc1-c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.46
METAP1 P53582 4/20 0.46
IDO1 P14902 3/20 0.43
CYP1A2 P05177 6/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
ALOX15 P16050 1/20 0.42
TDO2 P48775 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL29430087 1.00 METAP2 (0.46) METAP2METAP1IDO1CYP1A2CYP2D6
SCHEMBL27545633 0.83 METAP1 (0.40) METAP2METAP1IDO1CYP1A2CYP2D6
SCHEMBL28363719 0.82 CD44 (0.39) METAP2METAP1IDO1CYP1A2CYP2D6
SCHEMBL17194903 0.79 METAP1 (0.40) METAP2METAP1IDO1ALDH1A1HSD17B10
SCHEMBL28857133 0.78 METAP1 (0.44) METAP2METAP1IDO1CYP1A2CYP2D6
SCHEMBL4518539 0.78 LMNA (0.53) METAP2METAP1IDO1CYP1A2CYP2D6
SCHEMBL14754323 0.77 METAP1 (0.49) METAP2METAP1ALDH1A1TSHRNPC1
SCHEMBL14754485 0.77 METAP1 (0.49) METAP2METAP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL21091024 0.77 CASP6 (0.45) METAP2METAP1IDO1CYP1A2CYP2D6
SCHEMBL31006742 0.77 METAP1 (0.49) METAP2METAP1ALDH1A1TSHRNPC1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
EP-3495358-B1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2022-04-27 EP disclosed
CN-107501204-A A kind of method that 1,3 substituted thiazole cyclics are synthesized by styrene compound 河南师范大学 2017-12-22 CN disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
CN-101410375-B Process for producing aromatic compound SUMITOMO CO LTD 2012-06-13 CN disclosed
CN-101287566-B Method for producing metal microparticle dispersion, conductive ink using metal microparticle dispersion produced by the method, and conductive coating film TOYO INK MFG CO 2012-05-23 CN disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
CN-100516064-C Kinase inhibitors LILLY CO ELI (US) 2009-07-22 CN disclosed
CN-101410375-A Process for producing aromatic compound SUMITOMO CHEMICAL CO (JP) 2009-04-15 CN disclosed
CN-101287566-A Method for producing metal microparticle dispersion, conductive ink using metal microparticle dispersion produced by the method, and conductive coating film TOYO INK MFG CO (JP) 2008-10-15 CN disclosed
CN-1938302-A Kinase inhibitors LILLY CO ELI (US) 2007-03-28 CN disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN 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 (4 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 METAP2 2696/4885METAP1 3165/4885IDO1 3851/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 METAP2 2696/4885METAP1 3165/4885IDO1 3851/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 METAP2 2696/4885METAP1 3165/4885IDO1 3851/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 METAP2 1460/4885METAP1 2279/4885IDO1 2838/4885

“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.