SCHEMBL2091928

SCHEMBL2091928

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 5/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 7/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
CSF1R P07333 1/20 0.42
THRB P10828 1/20 0.41
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL2091667 0.92 NPC1 (0.52) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL2092699 0.91 DEGS1 (0.43) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2094484 0.89 NPC1 (0.45) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL2092592 0.89 NPC1 (0.45) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL2094287 0.89 MEN1 (0.55) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL648286 0.89 RAB9A (0.43) RAB9ASMN1; SMN2TP53TSHRNPSR1
SCHEMBL2094049 0.89 ALDH1A1 (0.48) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL2095439 0.89 NPC1 (0.44) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL2092593 0.89 NPC1 (0.44) RAB9ASMN1; SMN2TP53TSHRNPC1
SCHEMBL2094043 0.87 NPC1 (0.43) RAB9ASMN1; SMN2TP53TSHRNPC1

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
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
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 RAB9A 642/4885SMN1; SMN2 4630/4885TP53 900/4885

“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.