SCHEMBL3158442

SCHEMBL3158442

O=C(Nc1ccc2nc[nH]c2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 1/20 0.47
ECE1 P42892 4/20 0.45
QPCT Q16769 3/20 0.44
XDH P47989 1/20 0.44
F10 P00742 2/20 0.44
MAOB P27338 1/20 0.43
CLK1 P49759 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CCR2 P41597 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL3148716 0.93 F10 (0.46) TP53MAPTRAB9AATMPOLB
SCHEMBL926597 0.88 F10 (0.44) ECE1F10MAOBCCR2PTGS1
SCHEMBL3148861 0.85 MAOB (0.50) RAB9ASMN1; SMN2ECE1F10MAOB
SCHEMBL3153583 0.85 ECE1 (0.48) RAB9APOLBECE1F10MAOB
SCHEMBL3150006 0.84 MAOB (0.49) MAPTRAB9APOLBHTTECE1
SCHEMBL3580566 0.83 NPC1 (0.52) MAPTRAB9AECE1F10MAOB
SCHEMBL3154874 0.82 F10 (0.46) MAPTRAB9AECE1F10MAOB
SCHEMBL3158981 0.82 ECE1 (0.47) TP53RAB9ASMN1; SMN2ECE1F10
SCHEMBL3154385 0.82 RAB9A (0.52) TP53MAPTRAB9AHTTSMN1; SMN2
SCHEMBL3158017 0.82 MAOB (0.47) ECE1F10MAOBCCR2

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
EP-1841737-B1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2010-03-10 EP claimed
EP-1841737-B1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2010-03-10 EP disclosed
US-7557134-B2 N-(heteroaryl)-1H-indole-2-carboxamide derivatives and their use as vanilloid TRPV1 receptor ligands SANOFI-AVENTIS (FR) 2009-07-07 US disclosed
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-10-16 US disclosed
US-7407950-B2 N-(heteroaryl)-1H-indole-2-carboxamide derivatives and their use as vanilloid TRPV1 receptor ligands SANOFI-AVENTIS (FR) 2008-08-05 US disclosed
US-20070259946-A1 N-(isoquinol-5-yl)-5-fluoro-1-[((3-trifluoromethyl)phenyl)methyl]-1H-indole-2-carboxamide; transient receptor potential vanilloid (capsaicin receptor) antagonist or agonist; analgesic, antiallergen agent; pain and irritation of the skin, eyes and mucous membrane SANOFI-AVENTIS (FR) 2007-11-08 US 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 (2 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-20070259946-A1 N-(isoquinol-5-yl)-5-fluoro-1-[((3-trifluoromethyl)phenyl)methyl]-1H-indole-2-carboxamide; transient receptor potential vanilloid (capsaicin receptor) antagonist or agonist; analgesic, antiallergen agent; pain and irritation of the skin, eyes and mucous membrane TRPV1, TRPV5, TRPA1 TP53 4159/4885MAPT 3996/4885RAB9A 2873/4885
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS TRPV1, TRPV3, TRPV2 TP53 4482/4885MAPT 3392/4885RAB9A 2558/4885

“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.