SCHEMBL4775323

SCHEMBL4775323

c1ccc(C2(c3ccc(-c4ncncn4)cc3)N=NN=N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.30
HPGDS O60760 1/20 0.30

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
SCHEMBL5274311 0.77 OPRM1 (0.33)
SCHEMBL582179 0.75 NPC1 (0.58) NPC1RAB9ANFKB1NFKB2RELA
Bromide SCHEMBL28070425 0.74 OPRM1 (0.32)
SCHEMBL36826 0.74 NPC1 (0.56) NPC1RAB9ANFKB1NFKB2RELA
Bromide SCHEMBL29801969 0.74 OPRM1 (0.32)
SCHEMBL1421973 0.72 NPC1 (0.40) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL28377424 0.69 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL28438211 0.68 RAB9A (0.40) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL22063021 0.68 NPC1 (0.40) NPC1RAB9ANFKB1NFKB2RELA
Dimethylamine SCHEMBL9804737 0.67 NPC1 (0.48) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
EP-1713778-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-10-25 EP disclosed
WO-2005058837-A1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-06-30 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 (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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 NPC1 2009/4885RAB9A 2307/4885NFKB1 3171/4885

“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.