SCHEMBL7918495

SCHEMBL7918495

CC(C)c1sc(N)nc1-c1ccc(NC(=O)c2ccc(F)cc2F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ PIK3C3 Q8NEB9 3/20 0.41
▸ GRM5 P41594 2/20 0.40
▸ HTR1F P30939 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL13321615 0.89 ABCB1 (0.44) ABCB1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7918498 0.89 NTRK1 (0.45) ABCB1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7933347 0.83 ABCB1 (0.51) ABCB1GAAGRM5L3MBTL1
SCHEMBL2849853 0.83 GPR55 (0.44) ABCB1GRM5HTR1FMAPK1
SCHEMBL7930950 0.72 MEN1 (0.55) KDM4ENPC1RAB9AALDH1A1TP53
SCHEMBL13640667 0.70 KDM4E (0.52) ABCB1KDM4ENPC1RAB9AALDH1A1
SCHEMBL28059002 0.70 PIK3C3 (0.52) NPC1RAB9AALDH1A1ABL1PIK3C3
SCHEMBL7918493 0.70 KDM4E (0.46) ABCB1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5232592 0.69 HCAR3 (0.57) ABCB1KDM4ENPC1RAB9AALDH1A1
SCHEMBL13321619 0.69 KDM4E (0.45) ABCB1KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 — — US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 — — US disclosed
US-8314130-B2 Compounds inclunding substituted pyridines for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 — — US disclosed
US-8314130-B2 Compounds inclunding substituted pyridines for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 — — US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — US disclosed
US-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 — — US disclosed
US-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 — — US disclosed
WO-2010039237-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 — — 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-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885KDM4E 2266/4885NPC1 199/4885
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885KDM4E 2266/4885NPC1 199/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885KDM4E 2266/4885NPC1 199/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 ABCB1 339/4885KDM4E 895/4885NPC1 640/4885

“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.

Send feedback