SCHEMBL5230345

SCHEMBL5230345

C[Si](C)(C)CCOCn1c(C=O)cc2c1-c1ccccc1Sc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL5227319 0.84 NPC1 (0.36) NPC1ALOX5APFEN1
SCHEMBL5225574 0.81 NPC1 (0.37) NPC1
SCHEMBL4693175 0.80 NPC1 (0.33) NPC1
SCHEMBL5229786 0.78 MAPK1 (0.37) NPC1
SCHEMBL4697380 0.76 CYP3A4 (0.36) NPC1
SCHEMBL5229676 0.75 NPC1 (0.34) NPC1ALOX5APFEN1
SCHEMBL5230836 0.75 CHRM2 (0.34) NPC1
SCHEMBL5227049 0.75 CYP1A2 (0.34) NPC1
SCHEMBL4696467 0.74 CYP3A4 (0.35) NPC1
SCHEMBL4696533 0.72 NPC1 (0.34) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312203-B2 1-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GlaxoSmithKline istraziva{hacek over (c)}ki Centar Zagreb d.o.o. (HR) 2007-12-25 US claimed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP claimed
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
US-7312203-B2 1-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GlaxoSmithKline istraziva{hacek over (c)}ki Centar Zagreb d.o.o. (HR) 2007-12-25 US disclosed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP disclosed
US-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US disclosed
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US disclosed
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 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-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT NPC1 812/4885ALOX5AP 340/4885FEN1 3333/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B NPC1 3522/4885ALOX5AP 649/4885FEN1 1861/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B NPC1 3480/4885ALOX5AP 626/4885FEN1 1781/4885

“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.