SCHEMBL1999180

SCHEMBL1999180

O=C(O)c1cn2cc(Br)sc2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
DAO P14920 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 3/20 0.33
TSHR P16473 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MCL1 Q07820 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL15188324 0.83 BAZ2B (0.36) RXFP1KDM4EALOX15ALDH1A1SMN1; SMN2
SCHEMBL969923 0.80 LMNA (0.35) RXFP1SMN1; SMN2TP53
SCHEMBL16426550 0.78 PTGS1 (0.42) RXFP1PTGS1PTGS2DAOKDM4E
SCHEMBL19292043 0.74 PTGS1 (0.39) RXFP1PTGS1PTGS2KDM4EALOX15
SCHEMBL16426552 0.74 PTGS1 (0.39) RXFP1PTGS1PTGS2KDM4EALOX15
SCHEMBL23387630 0.74 PTGS1 (0.39) RXFP1PTGS1PTGS2DAOSMN1; SMN2
SCHEMBL16416762 0.74 DAO (0.40) RXFP1PTGS1PTGS2DAOKDM4E
SCHEMBL16426553 0.74 RXFP1 (0.42) RXFP1PTGS1PTGS2KDM4EALOX15
SCHEMBL16426549 0.74 PTGS1 (0.39) RXFP1PTGS1PTGS2KDM4EALOX15
SCHEMBL12566976 0.71 PIK3CG (0.41) KDM4EALOX15ALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513113-B1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2018-08-01 EP disclosed
US-9271969-B2 Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme KAINOS MEDICINE, INC. (KR) 2016-03-01 US disclosed
US-9271969-B2 Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme KAINOS MEDICINE, INC. (KR) 2016-03-01 US disclosed
US-9271969-B2 Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme KAINOS MEDICINE, INC. (KR) 2016-03-01 US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 US disclosed
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME KAINOS MEDICINE, INC. (KR) 2015-06-11 US disclosed
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME KAINOS MEDICINE, INC. (KR) 2015-06-11 US disclosed
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME KAINOS MEDICINE, INC. (KR) 2015-06-11 US disclosed
EP-2691093-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX Pharmaceuticals, Inc. (US) 2014-02-05 EP disclosed
WO-2013119040-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME KAINOS MEDICINE, INC. (KR) 2013-08-15 WO disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
WO-2012135581-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
WO-2011075615-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
WO-2011075615-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
WO-2010133534-A1 BICYCLIC AMINO SUBSTITUTED COMPOUNDS AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2010-11-25 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-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 RXFP1 4764/4885PTGS1 1677/4885PTGS2 2058/4885
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME DGAT1, DGAT2, SOAT1 RXFP1 3715/4885PTGS1 645/4885PTGS2 1411/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 RXFP1 4556/4885PTGS1 1503/4885PTGS2 1797/4885

“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.