SCHEMBL3258184

SCHEMBL3258184

O=C(Nc1ccc2cccnc2c1)c1cc2ccc(Br)cc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ROCK1 Q13464 1/20 0.48
TRPV1 Q8NER1 3/20 0.46
CCR9 P51686 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
CCR2 P41597 1/20 0.44
PABPC1 P11940 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NOTUM Q6P988 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CYP1A2 P05177 2/20 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
SCHEMBL3259497 0.93 MEN1 (0.55) MEN1KMT2AROCK1TRPV1RAB9A
SCHEMBL3259326 0.89 MEN1 (0.53) MEN1KMT2ATRPV1CCR9RAB9A
SCHEMBL6364550 0.82 MEN1 (0.63) MEN1KMT2AROCK1TRPV1RAB9A
SCHEMBL3158017 0.77 MAOB (0.47) MEN1KMT2AROCK1PTGDR2CCR2
SCHEMBL6358712 0.77 MEN1 (0.61) MEN1KMT2ATRPV1RAB9ANPC1
SCHEMBL2810002 0.75 KDM4E (0.51) MEN1KMT2ATRPV1HDAC6CYP1A2
SCHEMBL3879676 0.75 GRM4 (0.64) MEN1KMT2AROCK1TRPV1RAB9A
Hydrochloric Acid SCHEMBL2811025 0.74 KDM4E (0.50) MEN1KMT2ATRPV1CYP1A2CYP2C19
SCHEMBL3890282 0.73 MEN1 (1.00) MEN1KMT2ATRPV1RAB9ANPC1
SCHEMBL3880418 0.73 MEN1 (0.56) MEN1KMT2ATRPV1RAB9ANPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US 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-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 US disclosed
US-7544803-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-09 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
EP-1841737-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2007-10-10 EP disclosed
WO-2006072736-A1 N- (HETEROARYL) -1H-INDOLE-2-CARB0XAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2006-07-13 WO disclosed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 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 (3 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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MEN1 3499/4885KMT2A 3902/4885ROCK1 1473/4885
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 MEN1 4713/4885KMT2A 1863/4885ROCK1 2604/4885
US-20080255131-A1 N-(HETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS VANILLOID TRPV1 RECEPTOR LIGANDS TRPV1, TRPV3, TRPV2 MEN1 4692/4885KMT2A 3063/4885ROCK1 2375/4885

“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.