SCHEMBL3164342

SCHEMBL3164342

O=C(Nc1ccccn1)C(OC(=O)C(F)(F)F)Oc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.39
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
EGFR P00533 2/20 0.36
FGFR1 P11362 2/20 0.36
KDR P35968 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MITF O75030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3180476 0.87 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3174542 0.86 PTPN1 (0.48) LMNAMEN1NPC1KMT2APTPN1
SCHEMBL3170216 0.86 DGAT1 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL3180774 0.82 NPC1 (0.45) SCN9ALMNAALDH1A1MEN1NPC1
Trifluoroacetic Acid SCHEMBL3164328 0.76 LMNA (0.47) SCN9ALMNAALDH1A1MEN1NPC1
SCHEMBL8469703 0.74 RAB9A (0.52) SCN9ALMNAALDH1A1DHODHMEN1
SCHEMBL1564886 0.69 ALDH1A1 (0.53) LMNAALDH1A1DHODHNPC1RAB9A
Trifluoroacetic Acid SCHEMBL3614385 0.68 DEGS1 (0.45)
Trifluoroacetic Acid SCHEMBL3614387 0.68 DEGS1 (0.45)
SCHEMBL3184096 0.67 CYP2D6 (0.46) NPC1RAB9AKDM4EPTPN1PTPN6

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 SCN9A 3238/4885LMNA 2141/4885ALDH1A1 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.