SCHEMBL3170216

SCHEMBL3170216

O=C(Nc1ccccc1F)C(OC(=O)C(F)(F)F)Oc1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
GAA P10253 2/20 0.40
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
CDK8 P49336 1/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 4/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL3174542 0.87 PTPN1 (0.48) DGAT1HTTSMN1; SMN2NPC1KMT2A
SCHEMBL3164342 0.86 SCN9A (0.42) GAARAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3180774 0.81 NPC1 (0.45) GAAHTTRAB9ASMN1; SMN2NPC1
SCHEMBL3180476 0.76 ALDH1A1 (0.39) RAB9ANPC1POLBKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3170206 0.75 NPC1 (0.57) RAB9ANPC1POLBKMT2ARXFP1
SCHEMBL8452485 0.74 NPC1 (0.61) ATMRAB9ANPC1POLBKMT2A
SCHEMBL3163775 0.66 RXFP1 (0.45) DGAT1CDK8SMN1; SMN2NPC1KMT2A
SCHEMBL3620552 0.66 MMP1 (0.59) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL3620554 0.66 MMP1 (0.59) GAARAB9ANPC1ALDH1A1MAPT
SCHEMBL8177236 0.66 MMP1 (0.59) GAARAB9ANPC1ALDH1A1MAPT

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 DGAT1 2382/4885GAA 1632/4885HTT 1967/4885

“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.