SCHEMBL4764281

SCHEMBL4764281

Cc1ccc(-c2ccno2)cc1-c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
DHFR P00374 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
EPHX2 P34913 1/20 0.36
ACHE P22303 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
EDNRB P24530 1/20 0.35

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
SCHEMBL440985 0.82 PIK3CD (0.47) NOTUMALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL1351742 0.79 NOTUM (0.63) NOTUMALDH1A1RAB9ANPC1CYP1A2
SCHEMBL5275247 0.79 KDM4E (0.38) NOTUMALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL29541595 0.78 NOTUM (0.52) NOTUMALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5550530 0.77 FEN1 (0.50) PIK3CDPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL3955375 0.77 NOTUM (0.61) NOTUMALDH1A1KDM4EGAARAB9A
SCHEMBL8227757 0.74 MAP4K4 (0.54) NOTUMGAAPIK3CDPIK3CBPIK3CG
SCHEMBL438957 0.73 NOTUM (0.47) NOTUMALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3783964 0.73 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2DHFRRAB9A
SCHEMBL5033805 0.72 ESR1 (0.43) NOTUMALDH1A1KDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP claimed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP claimed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP claimed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO claimed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 US claimed
EP-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 EP disclosed
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-06 US disclosed
US-8592486-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-11-26 US disclosed
US-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-09-06 US disclosed
US-8202999-B2 biphenyl and pyridylphenyl derivatives such as 2,6-Difluoro-N-[2'-methyl-5'-(pyridine-3-yl)-biphenyl-4-yl]-benzamide, used as immunosuppressants for the treatmet or prevent allergies, inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. (US) 2012-06-19 US disclosed
EP-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP disclosed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO disclosed
US-20060173006-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 US 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-20120225883-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 NOTUM 3345/4885ALDH1A1 2527/4885KDM4E 2202/4885
US-20060173006-A1 Compounds for inflammation and immune-related uses CXCL8, CCR8, CXCR2 NOTUM 3345/4885ALDH1A1 2527/4885KDM4E 2202/4885
US-20140039009-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR8, CXCR2 NOTUM 3345/4885ALDH1A1 2527/4885KDM4E 2202/4885

“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.