SCHEMBL4697157

SCHEMBL4697157

Clc1ccc2c(c1)-c1nc[nH]c1-c1ccccc1O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
IDO1 P14902 3/20 0.44
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
CYP3A4 P08684 4/20 0.41
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
HTR1A P08908 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
CHRM1 P11229 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 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
SCHEMBL5227927 0.94 MAPK1 (0.47) MAPK1IDO1DRD2DRD4CYP3A4
SCHEMBL4694417 0.85 ALDH1A1 (0.49) MAPK1IDO1CYP3A4CYP1A2CYP2D6
SCHEMBL4695701 0.74 IDO1 (0.44) IDO1DRD2DRD4CYP3A4HRH1
SCHEMBL5228795 0.73 MAPK1 (0.48) MAPK1DRD2DRD4CYP3A4HRH2
SCHEMBL4491978 0.72 MAPK1 (0.48) MAPK1DRD2DRD4CYP3A4HRH2
SCHEMBL19537683 0.72 MAPK1 (0.57) MAPK1DRD2DRD4CYP3A4HRH2
SCHEMBL30912194 0.72 MAPK1 (0.50) MAPK1DRD2DRD4CYP3A4HRH2
SCHEMBL5244320 0.71 MAPK1 (0.47) MAPK1DRD2DRD4CYP3A4HRH2
SCHEMBL4080406 0.70 DPP4 (0.46) IDO1CYP1A2ALDH1A1TP53MAPT
SCHEMBL8105110 0.70 ALDH1A1 (0.50) IDO1CYP3A4ALDH1A1HTR7TP53

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
EP-1509528-B1 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-09-24 EP disclosed
US-7166583-B2 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-01-23 US disclosed
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-10-13 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-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B MAPK1 161/4885IDO1 74/4885DRD2 1131/4885

“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.