SCHEMBL2092592

SCHEMBL2092592

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cccc(C)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SCD O00767 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GRM5 P41594 3/20 0.42
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2091667 0.94 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2094287 0.92 MEN1 (0.55) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2094484 0.92 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2095439 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2094049 0.91 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2092593 0.91 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2093370 0.91 DEGS1 (0.45) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL2094043 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2091928 0.89 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2092656 0.89 ADORA2A (0.46) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004626-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-24 EP claimed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US claimed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO claimed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
US-8163777-B2 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-04-24 US disclosed
EP-2004626-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-24 EP disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 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 (1 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 NPC1 1500/4885RAB9A 642/4885SMN1; SMN2 4630/4885

“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.