SCHEMBL2094909

SCHEMBL2094909

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.51
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 6/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
GAA P10253 1/20 0.44
DEGS1 O15121 2/20 0.42
MEN1 O00255 3/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL2092557 0.92 IRAK4 (0.49) SCDKMT2ANPC1RAB9AMAPT
SCHEMBL2093770 0.90 F10 (0.45) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2093370 0.90 DEGS1 (0.45) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2095105 0.90 MEN1 (0.48) SCDKMT2ANPC1RAB9ALMNA
SCHEMBL648743 0.89 SCD (0.51) SCDKMT2ANPC1RAB9AMAPT
SCHEMBL2093544 0.89 SCD (0.54) SCDKMT2ANPC1RAB9AMAPT
SCHEMBL2093208 0.89 DEGS1 (0.44) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL2094420 0.89 DEGS1 (0.44) KMT2ALMNAALDH1A1ABCG2GAA
SCHEMBL2094250 0.87 DEGS1 (0.45) SCDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2092699 0.87 DEGS1 (0.43) KMT2ANPC1RAB9ALMNAALDH1A1

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 SCD 4651/4885KMT2A 3619/4885NPC1 1500/4885

“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.