SCHEMBL1536442

SCHEMBL1536442

COc1ccc2c(=O)[nH]c(-c3cccc(N(C)C)c3)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP1 P09874 1/20 0.45
TNKS O95271 1/20 0.44
PIM1 P11309 1/20 0.43

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
SCHEMBL1536447 0.86 TNKS (0.49) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL1536353 0.83 KDM4E (0.64) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL4773470 0.80 PARP1 (0.58) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL31238209 0.79 HPGD (0.72) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL1536409 0.77 CDC25B (0.43) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL1536468 0.77 KDM4E (0.58) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL1536613 0.76 TNKS (0.46) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL1536571 0.76 CLK1 (0.48) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL13729788 0.73 PARP1 (0.48) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL28034156 0.73 PARP1 (0.48) KDM4EMEN1MAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid WANG XIANGDONG A 2006-08-03 US disclosed
EP-1629000-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
US-6995174-B2 for inhibiting proteases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-07 US disclosed
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-28 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
WO-2004094452-A2 MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885MEN1 4820/4885MAPT 4303/4885
US-20050090432-A1 Macrocyclic isoquinoline peptide inhibitors of Hepatitis C virus VIP, QPCT, HCCS KDM4E 4060/4885MEN1 2867/4885MAPT 4318/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 KDM4E 2792/4885MEN1 4817/4885MAPT 4314/4885
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid PRSS1, CTRL, CTRB1 KDM4E 1169/4885MEN1 4203/4885MAPT 4311/4885

“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.