SCHEMBL3154385

SCHEMBL3154385

O=C(Nc1ccc2ncsc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ECE1 P42892 4/20 0.45
MAPT P10636 6/20 0.45
F10 P00742 1/20 0.44
MAOB P27338 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3157525 0.92 NPC1 (0.48) RAB9ANPC1MEN1KMT2AECE1
SCHEMBL1051409 0.86 F10 (0.44) RAB9ANPC1MEN1KMT2AECE1
SCHEMBL3148861 0.85 MAOB (0.50) RAB9ANPC1ECE1F10MAOB
SCHEMBL3150006 0.84 MAOB (0.49) RAB9ANPC1MEN1KMT2AECE1
SCHEMBL3158981 0.82 ECE1 (0.47) RAB9ANPC1ECE1F10MAOB
SCHEMBL3158442 0.82 TP53 (0.48) RAB9AECE1MAPTF10MAOB
SCHEMBL3158017 0.82 MAOB (0.47) MEN1KMT2AECE1F10MAOB
SCHEMBL3154715 0.81 MAPT (0.52) RAB9ANPC1ECE1MAPTF10
SCHEMBL3150066 0.81 NPC1 (0.52) RAB9ANPC1ECE1MAPTF10
SCHEMBL2900723 0.81 ECE1 (0.58) KMT2AECE1F10MAOBCCR2

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 RAB9A 2873/4885NPC1 910/4885MEN1 4713/4885
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS TRPV1, TRPV3, TRPV2 RAB9A 2558/4885NPC1 779/4885MEN1 4692/4885

“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.