SCHEMBL9941838

SCHEMBL9941838

COc1ccc2[nH]c(=O)c(C(F)(F)F)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 3/20 0.61
PABPC1 P11940 1/20 0.61
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 5/20 0.57
KHK P50053 1/20 0.57
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 3/20 0.45
DYRK1A Q13627 1/20 0.44
HSD17B10 Q99714 5/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL13729799 0.89 MEN1 (0.61) KMT2AMEN1MAPTPOLBPABPC1
SCHEMBL4310456 0.87 ALDH1A1 (0.54) KMT2AMEN1MAPTPOLBPABPC1
SCHEMBL15647168 0.85 MAPT (0.57) KMT2AMEN1MAPTPOLBPABPC1
SCHEMBL15646693 0.85 MEN1 (0.57) KMT2AMEN1MAPTPOLBPABPC1
SCHEMBL24427741 0.81 KDM4E (0.62) KMT2AMEN1MAPTPOLBPABPC1
SCHEMBL1463572 0.79 NPSR1 (0.53) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL707140 0.79 ALDH1A1 (0.58) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL30695515 0.79 ALDH1A1 (0.58) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL6304076 0.79 KDM4E (0.56) KMT2AMEN1MAPTPOLBPABPC1
SCHEMBL29773331 0.78 KDM4E (0.62) KMT2AMEN1MAPTPOLBPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 US disclosed
EP-2964664-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-11 EP disclosed
EP-2964664-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-11 EP disclosed
WO-2014062196-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
EP-2705049-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2014-03-12 EP disclosed
EP-2651223-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors NIVALIS THERAPEUTICS, INC. 2013-10-03 US disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
US-20130115190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-05-09 US disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed
WO-2012083165-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 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 (2 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-20130115190-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 KMT2A 4612/4885MEN1 4761/4885MAPT 4174/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR KMT2A 2716/4885MEN1 4669/4885MAPT 3577/4885

“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.