SCHEMBL2898989

SCHEMBL2898989

O=C(Nc1ccc(N2CC3CC3C2)nc1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 8/20 0.43
F10 P00742 2/20 0.42
MAOB P27338 1/20 0.42
ABCB1 P08183 1/20 0.40
CCR2 P41597 1/20 0.39
DGAT1 O75907 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
WNT3A P56704 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL2895016 0.95 F10 (0.42) ECE1F10MAOBABCB1CCR2
SCHEMBL2895761 0.92 F10 (0.43) ECE1F10MAOBABCB1CCR2
SCHEMBL1100830 0.90 DGAT1 (0.40) MAOBDGAT1NPC1RAB9AWNT3A
SCHEMBL2893134 0.89 KCNQ3 (0.49) ECE1F10MAOBABCB1CCR2
SCHEMBL2894989 0.89 KCNQ3 (0.47) ECE1F10MAOBABCB1CCR2
SCHEMBL2900631 0.88 F10 (0.43) ECE1F10MAOBABCB1DGAT1
SCHEMBL2900635 0.88 F10 (0.43) ECE1F10MAOBABCB1DGAT1
SCHEMBL2895796 0.88 TRPV1 (0.43) ECE1F10MAOBABCB1DGAT1
SCHEMBL2891751 0.88 KCNQ3 (0.48) ECE1F10MAOBABCB1CCR2
SCHEMBL4406277 0.86 RAB9A (0.55) DGAT1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1214/4885F10 1568/4885MAOB 33/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 ECE1 1214/4885F10 1568/4885MAOB 33/4885

“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.