SCHEMBL1477458

SCHEMBL1477458

C#CCOc1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
MAOB P27338 7/20 0.41
MAOA P21397 4/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 6/20 0.40
CA4 P22748 6/20 0.40
CA9 Q16790 6/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SOD1 P00441 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL28399593 0.86 GSTP1 (0.39) GSTP1MAOBMAOAACHECA12
SCHEMBL3204571 0.83 GSTP1 (0.52) GSTP1MAOBMAOAACHECA12
SCHEMBL16395285 0.79 GSTP1 (0.40) GSTP1MAOBMAOAACHECA12
SCHEMBL4808501 0.79 MAOB (0.51) GSTP1MAOBMAOACA12CA4
SCHEMBL28406655 0.79 MEN1 (0.47) MAOBMAOAALDH1A1GAA
SCHEMBL15940050 0.78 GSTP1 (0.42) GSTP1MAOBMAOAACHECA12
SCHEMBL2781336 0.77 SOD1 (0.39) POLBHSD17B10SOD1KDM4EALDH1A1
SCHEMBL5540730 0.77 SOD1 (0.47) SOD1
SCHEMBL3830326 0.77 CA12 (0.53) GSTP1MAOBMAOAACHECA12
SCHEMBL15747176 0.77 MAOB (0.44) GSTP1MAOBMAOAACHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107344940-B BTK inhibitors and uses thereof 广东东阳光药业有限公司 2020-04-21 CN disclosed
EP-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 US disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-12-04 US disclosed
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-19 US disclosed
US-9873697-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2018-01-23 US disclosed
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-02 US disclosed
US-9738637-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-08-22 US disclosed
US-7405310-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2008-07-29 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
US-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-10-27 US disclosed
US-6894177-B2 Intermediate compounds of non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-05-17 US disclosed
US-6716850-B2 ESPECIALLY N-(NITROGEN HETEROAR-2-YL)-SUBSTITUTED TETRAHYDROCYCLOPROPA(C)CHROMEN-1-UREAS AND THIOUREAS; TREATING HIV-1, PARTICULARLY A DRUG ESCAPE MUTANT. MEDIVIR AB (SE) 2004-04-06 US disclosed
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-04-10 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 (10 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-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, TYMP, PNP GSTP1 788/4885MAOB 1060/4885MAOA 1172/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 GSTP1 2869/4885MAOB 2938/4885MAOA 3680/4885
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A GSTP1 1721/4885MAOB 588/4885MAOA 537/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A GSTP1 1721/4885MAOB 588/4885MAOA 537/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 GSTP1 2869/4885MAOB 2938/4885MAOA 3680/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A GSTP1 1721/4885MAOB 588/4885MAOA 537/4885
US-10144737-B2 Substituted ethynyl heterobicyclic compounds as tyrosine kinase inhibitors BTK, BCL9, LCK GSTP1 1728/4885MAOB 1675/4885MAOA 3393/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E GSTP1 2559/4885MAOB 1874/4885MAOA 2680/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A GSTP1 1721/4885MAOB 588/4885MAOA 537/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A GSTP1 2348/4885MAOB 2201/4885MAOA 2141/4885

“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.