SCHEMBL4492596

SCHEMBL4492596

c1ccc(CCn2cc3c(n2)-c2ccccc2Sc2ccccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
SIGMAR1 Q99720 1/20 0.37
BCHE P06276 2/20 0.37
ADRB3 P13945 1/20 0.37
HRH2 P25021 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NAMPT P43490 1/20 0.36
ACHE P22303 1/20 0.35
PTGIR P43119 1/20 0.35
NPY5R Q15761 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3885071 0.82 KMT2A (0.44) ADORA3SIGMAR1HRH2ADRA1DHTR2A
SCHEMBL3888873 0.77 CHRM2 (0.35) ADORA3SIGMAR1HRH2ADRA1DHTR2A
SCHEMBL3884510 0.73 PDE4A (0.35) PTGS2SIGMAR1BCHEADRB3HRH2
SCHEMBL3883013 0.72 HTR1A (0.40) ADORA3SIGMAR1BCHEADRB3HRH2
SCHEMBL3882159 0.71 CYP2D6 (0.42) ADORA3SIGMAR1BCHEADRB3HRH2
SCHEMBL4693840 0.70 POLB (0.54) L3MBTL1ALDH1A1
SCHEMBL4493663 0.70 PDE4A (0.39) PTGS2BCHEADRB3HRH2ADRA1D
SCHEMBL4503988 0.69 NPSR1 (0.33) BCHENPY5RALDH1A1
SCHEMBL4695727 0.68 POLB (0.42) TDP1L3MBTL1ALDH1A1
SCHEMBL4695700 0.67 LMNA (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US disclosed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP disclosed
US-20050209296-A1 1,2-Diaza-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

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-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B PTGS2 364/4885ADORA2A 2150/4885ADORA1 718/4885

“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.