SCHEMBL2744997

SCHEMBL2744997

NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.69
MAPT P10636 3/20 0.69
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
GAA P10253 1/20 0.68
MAPK1 P28482 2/20 0.65
GLA P06280 1/20 0.65
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.60
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
HPGD P15428 1/20 0.59
MAPK10 P53779 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58

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
SCHEMBL2744764 0.98 ALDH1A1 (0.70) USP2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL26314073 0.84 USP2 (0.71) USP2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL1832051 0.84 USP2 (0.71) USP2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL17303465 0.84 ALDH1A1 (0.74) USP2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL160989 0.83 ALDH1A1 (0.70) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL2744785 0.83 L3MBTL1 (0.70) ALDH1A1SMN1; SMN2NPC1GAAMAPK1
SCHEMBL2981180 0.83 ALDH1A1 (0.97) USP2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL22076808 0.83 USP2 (0.69) USP2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL26313603 0.83 ALDH1A1 (0.97) USP2MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL3350798 0.82 MAPT (0.72) USP2MAPTALDH1A1SMN1; SMN2RAB9A

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
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US claimed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 CN claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO claimed
JP-2007523865-A 2007-08-23 JP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
CN-102746285-B Compounds and compositions as HEDGEHOG pathway modulators 太阳制药国际公司 2022-01-14 CN disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 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-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 USP2 1239/4885MAPT 4534/4885ALDH1A1 1475/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO USP2 1793/4885MAPT 4520/4885ALDH1A1 2214/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 USP2 4473/4885MAPT 4422/4885ALDH1A1 843/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO USP2 1793/4885MAPT 4520/4885ALDH1A1 2214/4885

“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.