SCHEMBL8460633

SCHEMBL8460633

O=C(COc1ccc(-c2ccccc2F)nc1)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
TP53 P04637 4/20 0.49
PKM P14618 2/20 0.49
GAA P10253 2/20 0.48
MITF O75030 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HDAC4 P56524 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 1/20 0.43

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 SCHEMBL3180462 0.94 NPC1 (0.47) NPC1RAB9ATP53PKMGAA
SCHEMBL8469703 0.84 RAB9A (0.52) NPC1RAB9ATP53PKMGAA
SCHEMBL8452054 0.81 NPC1 (0.63) NPC1RAB9ATP53PKMGAA
Trifluoroacetic Acid SCHEMBL3164328 0.79 LMNA (0.47) NPC1RAB9ATP53PKMGAA
SCHEMBL4590827 0.78 NPC1 (0.47) NPC1RAB9ATSHRSMN1; SMN2L3MBTL1
SCHEMBL4591771 0.78 PDK2 (0.47) NPC1RAB9AL3MBTL1
Trifluoroacetic Acid SCHEMBL3173448 0.77 NPC1 (0.58) NPC1RAB9ATP53PKMGAA
Hydrochloric Acid SCHEMBL7014888 0.75 GAA (0.69) NPC1RAB9ATP53PKMGAA
SCHEMBL3180476 0.74 ALDH1A1 (0.39) NPC1RAB9APKMKDM4E
Trifluoroacetic Acid SCHEMBL3182204 0.74 ALOX5AP (0.43) NPC1RAB9ATP53MAPTKDM4E

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 NPC1 2911/4885RAB9A 3124/4885TP53 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.