SCHEMBL4696452

SCHEMBL4696452

O=c1c(=O)c2cc(Cl)ccc2oc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.61
MAOA P21397 4/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
PGAM1 P18669 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ADORA3 P0DMS8 2/20 0.59
TTR P02766 3/20 0.57
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL11594586 0.96 MAOA (0.67) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL218740 0.96 MAOA (0.67) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL4092241 0.86 TTR (0.71) AHRKDM4EALDH1A1MAPTHPGD
SCHEMBL237891 0.85 AHR (0.79) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL20346623 0.85 AHR (0.53) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL2281402 0.84 AHR (0.77) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL29919005 0.84 AHR (0.77) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL31596655 0.84 AHR (0.77) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL25625936 0.83 MAOA (0.58) AHRMAOAKDM4EALDH1A1GLA
SCHEMBL24398708 0.82 AHR (0.72) AHRMAOAKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957487-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES AEterna Zentaris GmbH (DE) 2008-08-20 EP claimed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 WO claimed
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
EP-1957487-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES AEterna Zentaris GmbH (DE) 2008-08-20 EP disclosed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 WO 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 AHR 205/4885MAOA 2143/4885KDM4E 2573/4885

“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.