SCHEMBL3890282

SCHEMBL3890282

O=C(Nc1ccc2cccnc2c1)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
MAPT P10636 2/20 0.65
SAE1 Q9UBE0 1/20 0.65
UBA2 Q9UBT2 1/20 0.65
TRPV1 Q8NER1 3/20 0.63
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
PABPC1 P11940 1/20 0.61
POLB P06746 2/20 0.61
HDAC6 Q9UBN7 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54

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
SCHEMBL3881090 0.91 MEN1 (0.83) MEN1KMT2AMAPTSAE1UBA2
SCHEMBL7101847 0.87 PABPC1 (0.79) MEN1KMT2AMAPTTRPV1NPC1
SCHEMBL13998319 0.86 MEN1 (0.76) MEN1KMT2AMAPTTRPV1NPC1
SCHEMBL4428905 0.85 TRPV1 (0.76) MEN1KMT2AMAPTTRPV1NPC1
SCHEMBL3878438 0.85 MEN1 (0.74) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL4433847 0.84 MEN1 (0.73) MEN1KMT2AMAPTTRPV1NPC1
SCHEMBL4427327 0.84 MEN1 (0.73) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL13863924 0.84 MEN1 (0.73) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL13863923 0.83 MEN1 (0.71) MEN1KMT2AMAPTTRPV1NPC1
Pyridine SCHEMBL29191407 0.83 PABPC1 (0.71) MEN1KMT2AMAPTTRPV1NPC1

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-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US claimed
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-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 MEN1 3527/4885KMT2A 3992/4885MAPT 4119/4885
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MEN1 3499/4885KMT2A 3902/4885MAPT 716/4885

“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.