SCHEMBL2900723

SCHEMBL2900723

O=C(Nc1ccc(Cl)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.58
KCNQ3 O43525 8/20 0.55
KCNQ2 O43526 8/20 0.55
KCNE1 P15382 7/20 0.55
KCNQ1 P51787 7/20 0.55
CCR2 P41597 2/20 0.49
MAOB P27338 1/20 0.49
F10 P00742 1/20 0.47
BACE1 P56817 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCB1 P08183 1/20 0.45
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL2892433 0.89 ECE1 (0.56) ECE1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL974519 0.88 ECE1 (0.58) ECE1CCR2MAOBF10ABCB1
SCHEMBL4145769 0.87 ECE1 (0.51) ECE1CCR2MAOBF10KMT2A
SCHEMBL974016 0.86 ECE1 (0.60) ECE1CCR2MAOBF10KMT2A
SCHEMBL4150411 0.86 F10 (0.47) ECE1CCR2MAOBF10ABCB1
Hydrochloric Acid SCHEMBL4143378 0.85 F10 (0.47) ECE1CCR2MAOBF10ABCB1
SCHEMBL11968305 0.84 KCNQ3 (0.48) ECE1KCNQ3KCNQ2CCR2MAOB
SCHEMBL2893134 0.84 KCNQ3 (0.49) ECE1KCNQ3KCNQ2CCR2MAOB
SCHEMBL2894989 0.84 KCNQ3 (0.47) ECE1KCNQ3KCNQ2CCR2MAOB
SCHEMBL2898989 0.84 ECE1 (0.43) ECE1CCR2MAOBF10ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511819-B Derivatives of N- (amino-heteroaryl) -1H-indole-2-amides, preparation thereof and use thereof in therapy SANOFI AVENTIS 2014-04-23 CN disclosed
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
EP-2049525-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-12-30 EP disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 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 (2 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-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 ECE1 1214/4885KCNQ3 1390/4885KCNQ2 2051/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 ECE1 1214/4885KCNQ3 1390/4885KCNQ2 2051/4885

“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.