SCHEMBL4386607

SCHEMBL4386607

CCOC(=O)c1ccc(-c2ccc(F)cc2)nc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
NPC1 O15118 5/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
CASP3 P42574 2/20 0.74
SENP8 Q96LD8 2/20 0.74
SENP7 Q9BQF6 2/20 0.74
SENP6 Q9GZR1 2/20 0.74
ATM Q13315 1/20 0.62
ALDH1A1 P00352 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 1/20 0.56
KDM4E B2RXH2 5/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MDM2 Q00987 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.50

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
SCHEMBL25866687 0.88 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL9647875 0.86 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL4434197 0.85 MDM2 (0.67) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL4427393 0.85 RAB9A (0.54) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL4433477 0.85 RAB9A (0.65) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL31339958 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL4426818 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL29368114 0.83 RAB9A (0.59) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL29678523 0.83 RAB9A (0.59) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL28509330 0.83 MDM2 (0.60) RAB9ANPC1SMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
US-20060148855-A1 Carboxamide derivatives GLAXO GROUP LIMITED (GB) 2006-07-06 US disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1606289-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2004072069-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD RAB9A 1467/4885NPC1 1228/4885SMN1; SMN2 1219/4885
US-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 RAB9A 1477/4885NPC1 784/4885SMN1; SMN2 3167/4885
US-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 RAB9A 2395/4885NPC1 2461/4885SMN1; SMN2 1722/4885

“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.