SCHEMBL1536493

SCHEMBL1536493

CCN(CC)c1ccc(-c2cc3cc(OC)ccc3c(F)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KDM1A O60341 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 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
SCHEMBL12464010 0.86 KDM4E (0.46) KDM4EALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL1536507 0.86 APP (0.48) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL1536660 0.85 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL8272618 0.85 KDM4E (0.45) KDM4EALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL13409345 0.81 MAPT (0.42) KDM4EALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL12463986 0.78 APP (0.48) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL14801186 0.77 MAPT (0.56) KDM4EALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL8621142 0.77 MAPT (0.56) KDM4EALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL1536561 0.75 ACP1 (0.43) KDM4EALDH1A1MAPK1HSD17B10KDM1A
SCHEMBL14801996 0.73 KDM4E (0.51) KDM4EALDH1A1L3MBTL1MAPTMAPK1

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 51 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
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
EP-1505963-A4 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
US-7449479-B2 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 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-7449479-B2 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 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-7449479-B2 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 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US 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
US-6995174-B2 for inhibiting proteases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-07 US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 2261/4885ALDH1A1 769/4885L3MBTL1 1371/4885
US-20090274656-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, CTRB1 KDM4E 2261/4885ALDH1A1 769/4885L3MBTL1 1371/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885ALDH1A1 769/4885L3MBTL1 1371/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 KDM4E 2792/4885ALDH1A1 512/4885L3MBTL1 1779/4885
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 1169/4885ALDH1A1 1592/4885L3MBTL1 1252/4885

“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.