SCHEMBL8469703

SCHEMBL8469703

O=C(COc1ccc(-c2ccc(F)cc2)nc1)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 7/20 0.52
TP53 P04637 4/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SCN9A Q15858 1/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
MITF O75030 1/20 0.46
XBP1 P17861 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL3164328 0.94 LMNA (0.47) RAB9ANPC1TP53PKMLMNA
SCHEMBL8460633 0.84 NPC1 (0.52) RAB9ANPC1TP53PKMGAA
SCHEMBL8452358 0.83 KMT2A (0.60) RAB9ANPC1TP53MEN1KMT2A
SCHEMBL8452485 0.83 NPC1 (0.61) RAB9ANPC1PKMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3180462 0.79 NPC1 (0.47) RAB9ANPC1TP53PKMGAA
SCHEMBL9003839 0.79 NPC1 (0.76) RAB9ANPC1TP53PKMGAA
Trifluoroacetic Acid SCHEMBL3170206 0.78 NPC1 (0.57) RAB9ANPC1PKMKMT2AKDM4E
Trifluoroacetic Acid SCHEMBL3174533 0.77 KMT2A (0.53) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL3606596 0.75 DHODH (0.76) RAB9ANPC1PKMLMNAKMT2A
SCHEMBL3606597 0.75 DHODH (0.76) RAB9ANPC1PKMLMNAKMT2A

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
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
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
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US 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 3124/4885NPC1 2911/4885TP53 4788/4885

“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.