SCHEMBL974004

SCHEMBL974004

O=C(Nc1ccc2nc(-c3cccs3)cn2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.41
F10 P00742 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 7/20 0.40
RXFP1 Q9HBX9 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 4/20 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
SCHEMBL974169 0.91 SMN1; SMN2 (0.41) ECE1F10TP53MAPTRXFP1
SCHEMBL974450 0.84 MCHR1 (0.46) ECE1F10MAPTL3MBTL1NPSR1
SCHEMBL974021 0.84 ECE1 (0.49) ECE1F10NPSR1ABCB1CCR2
SCHEMBL977904 0.82 ECE1 (0.46) ECE1F10MAPTL3MBTL1NPSR1
SCHEMBL974924 0.82 ECE1 (0.49) ECE1F10MAPTNPSR1ABCB1
SCHEMBL976086 0.80 F10 (0.47) ECE1F10TP53MAPTSMN1; SMN2
SCHEMBL974865 0.78 F10 (0.44) ECE1F10ABCB1CCR2SCD
SCHEMBL973614 0.78 ECE1 (0.47) ECE1F10NPSR1ABCB1CCR2
SCHEMBL974519 0.77 ECE1 (0.58) ECE1F10ABCB1CCR2
SCHEMBL2900723 0.75 ECE1 (0.58) ECE1F10KMT2AABCB1CCR2

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
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP claimed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US claimed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US claimed
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 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 (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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 ECE1 3013/4885F10 2006/4885TP53 1859/4885

“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.