SCHEMBL4694417

SCHEMBL4694417

c1ccc2c(c1)Oc1ccccc1-c1[nH]cnc1-2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
IDO1 P14902 7/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 3/20 0.36
ATM Q13315 1/20 0.36
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.32
SETD7 Q8WTS6 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK14 Q16539 2/20 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
SCHEMBL5227927 0.85 MAPK1 (0.47) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL4697157 0.85 MAPK1 (0.47) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL8105110 0.72 ALDH1A1 (0.50) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL14602781 0.70 MAPK8 (0.53) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL4692166 0.70 ALDH1A1 (0.49) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL5225284 0.68 KDM4E (0.45) KDM4ECYP1A2CYP2D6IDO1KMT2A
SCHEMBL31608586 0.68 ALDH1A1 (0.76) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL29027130 0.68 ALDH1A1 (0.46) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL9923722 0.68 ALDH1A1 (0.43) ALDH1A1POLBRXFP1KDM4ECYP3A4
SCHEMBL30581184 0.68 IDO1 (0.66) ALDH1A1POLBRXFP1KDM4ECYP3A4

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 ALDH1A1 45/4885POLB 3195/4885RXFP1 977/4885

“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.