SCHEMBL940667

SCHEMBL940667

O=C(Nc1ccc(N2CCC2)nc1)c1cc2cc(Br)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
DGAT1 O75907 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.41
WNT3A P56704 2/20 0.41
ECE1 P42892 5/20 0.40
ABCB1 P08183 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
F10 P00742 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
SCHEMBL2894989 0.94 KCNQ3 (0.47) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2893134 0.92 KCNQ3 (0.49) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2891751 0.92 KCNQ3 (0.48) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2891116 0.91 PTGS2 (0.47) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2896126 0.90 ECE1 (0.47) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL940036 0.90 KCNQ3 (0.44) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2903260 0.90 DGAT1 (0.51) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2899821 0.89 KCNQ3 (0.47) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL942092 0.89 KCNQ3 (0.42) KCNQ3KCNQ2DGAT1NPC1RAB9A
SCHEMBL2892120 0.89 KDM4E (0.47) KCNQ3KCNQ2DGAT1

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-8399491-B2 Derivatives of indole-2-carboxamides and of azaindole-2-carboxamides substituted with a silanyl group, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-19 US disclosed
EP-2235003-B1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-12-19 EP disclosed
US-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2235003-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009109710-A1 DERIVATIVES OF INDOLE 2-CARBOXAMIDES AND AZAINDOLE 2-CARBOXAMIDES SUBSTITUTED BY A SILANYLE GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-09-11 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-20110009365-A1 DERIVATIVES OF INDOLE-2-CARBOXAMIDES AND OF AZAINDOLE-2-CARBOXAMIDES SUBSTITUTED WITH A SILANYL GROUP, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, INMT, IDO1 KCNQ3 351/4885KCNQ2 580/4885DGAT1 3737/4885

“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.