SCHEMBL3164153

SCHEMBL3164153

O=C(COc1ccc(Br)nn1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TSHR P16473 1/20 0.50
RXFP1 Q9HBX9 2/20 0.48
RECQL P46063 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3184026 0.77 HPGD (0.61) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL19128428 0.77 ALDH1A1 (0.63) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL29150562 0.76 HPGD (0.59) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL3172999 0.75 RAB9A (0.50) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL13313010 0.72 SMN1; SMN2 (0.57) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL3431271 0.72 HPGD (0.51) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL1952477 0.71 ALDH1A1 (0.75) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL21365414 0.71 POLB (0.69) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL10064244 0.69 MEN1 (0.83) RAB9AHPGDALDH1A1NPC1POLB
SCHEMBL25434120 0.69 MEN1 (0.42) RAB9AHPGDALDH1A1POLBMAPT

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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 RAB9A 3124/4885HPGD 162/4885ALDH1A1 3253/4885

“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.