SCHEMBL1703413

SCHEMBL1703413

O=C(O)CSc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
FFAR1 O14842 1/20 0.55
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CDC25B P30305 2/20 0.47
MCL1 Q07820 2/20 0.46
HTR7 P34969 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.44
CXCL12 P48061 1/20 0.43
RAB9A P51151 1/20 0.43
S100A4 P26447 1/20 0.42
PRNP P04156 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL30421706 1.00 CYP1A2 (0.61) CYP1A2FFAR1KDM4EALDH1A1HPGD
SCHEMBL14273063 0.85 CYP1A2 (0.73) CYP1A2FFAR1KDM4EALDH1A1HPGD
SCHEMBL8705447 0.82 HTR7 (0.49) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30421739 0.82 HTR7 (0.44) CYP1A2FFAR1KDM4EALDH1A1HPGD
SCHEMBL15916105 0.82 SMN1; SMN2 (0.52) CYP1A2ALDH1A1HSD17B10MCL1HTR7
SCHEMBL30422241 0.81 HTR7 (0.51) ALDH1A1HPGDHSD17B10CDC25BHTR7
SCHEMBL11603953 0.81 HTR7 (0.51) ALDH1A1HPGDHSD17B10CDC25BHTR7
SCHEMBL6299141 0.79 HTR7 (0.46) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30184557 0.79 HTR7 (0.46) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11871456 0.78 MAPT (0.52) CYP1A2KDM4EALDH1A1HPGDHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 EP disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1848687-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006082010-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
EP-1569919-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-09-07 EP disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 US disclosed
WO-2004050643-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-06-17 WO 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 (3 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 CYP1A2 585/4885FFAR1 74/4885KDM4E 3467/4885
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 CYP1A2 289/4885FFAR1 2943/4885KDM4E 2654/4885
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT CYP1A2 753/4885FFAR1 245/4885KDM4E 2901/4885

“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.