SCHEMBL974016

SCHEMBL974016

CC(=O)Nc1ccc(NC(=O)c2cc3cc(F)ccc3n2Cc2cccc(F)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 7/20 0.60
F10 P00742 4/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.46
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR2 P41597 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
SCHEMBL4145769 0.92 ECE1 (0.51) ECE1F10NPC1ALDH1A1KDM4E
SCHEMBL11968329 0.88 ECE1 (0.48) ECE1F10NPC1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4148851 0.88 ECE1 (0.48) ECE1F10NPC1ALDH1A1KDM4E
SCHEMBL11968305 0.87 KCNQ3 (0.48) ECE1F10NPC1ALDH1A1KDM4E
SCHEMBL4151519 0.87 ECE1 (0.53) ECE1TP53MAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL4154693 0.86 KCNQ3 (0.47) ECE1F10NPC1ALDH1A1KDM4E
SCHEMBL974519 0.86 ECE1 (0.58) ECE1F10MAOBCCR2
SCHEMBL2900723 0.86 ECE1 (0.58) ECE1F10MAOBKMT2ACCR2
SCHEMBL4150411 0.85 F10 (0.47) ECE1F10MAOBCCR2
SCHEMBL4155894 0.85 F10 (0.55) ECE1F10MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8481745-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, preparation thereof and therapeutic use therof SANOFI (FR) 2013-07-09 US disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20120264944-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEROF SANOFI (FR) 2012-10-18 US disclosed
EP-2046775-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-08-22 EP disclosed
US-8227489-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-07-24 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE 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 (3 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-20120264944-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEROF IDO2, IDO1, IKZF3 ECE1 2326/4885F10 1188/4885TP53 819/4885
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 ECE1 3013/4885F10 2006/4885TP53 1859/4885
US-20090156809-A1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO1, IDO2, CNKSR1 ECE1 1630/4885F10 1505/4885TP53 2725/4885

“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.