SCHEMBL4248794

SCHEMBL4248794

Cc1c(O)c(=O)ccn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 1.00
NOTUM Q6P988 1/20 0.56
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
CYP2D6 P10635 1/20 0.54
HTT P42858 1/20 0.54
KDM6A O15550 1/20 0.53
KDM4A O75164 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM5C P41229 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
DOHH Q9BU89 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
APP P05067 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
DDB1 Q16531 1/20 0.43

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
SCHEMBL20893273 0.90 COMT (0.81) COMTNOTUMKDM4ESMN1; SMN2TP53
SCHEMBL9206381 0.81 COMT (0.68) COMTNOTUMKDM4ESMN1; SMN2TP53
SCHEMBL29255918 0.80 COMT (0.66) COMTNOTUMKDM4ESMN1; SMN2TP53
SCHEMBL28783650 0.80 COMT (0.66) COMTNOTUMKDM4ESMN1; SMN2TP53
SCHEMBL13485863 0.79 COMT (0.65) COMTNOTUMKDM4ESMN1; SMN2KDM6A
SCHEMBL11626746 0.79 COMT (0.65) COMTNOTUMKDM4ESMN1; SMN2CYP2C9
Hydrochloric Acid SCHEMBL30701792 0.78 COMT (0.64) COMTNOTUMKDM4ESMN1; SMN2TP53
SCHEMBL17567295 0.78 COMT (0.67) COMTNOTUMKDM4ESMN1; SMN2TP53
SCHEMBL16415821 0.77 COMT (0.62) COMTNOTUMKDM4ESMN1; SMN2TP53
SCHEMBL12492420 0.77 COMT (0.62) COMTKDM4EHTTKDM6AKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 EP disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed
WO-2017156194-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-14 WO disclosed
JP-2009234959-A SKIN-WHITENING AGENT COMPRISING 3-HYDROXY-2-METHYL-1-PHENYL-4-PYRIDINONE OR DERIVATIVE OF THE SAME, SKIN-WHITENING PREPARATION FOR EXTERNAL USE, AND COSMETIC CONTAINING THE SKIN-WHITENING AGENT PIAS ARISE KK 2009-10-15 JP disclosed
US-5814614-A Substituted glucose compounds for toxic metal ion removal from the body KRUCK THEO P A (CA) 1998-09-29 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 (2 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-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE POLRMT, RNASE1, POLM COMT 2088/4885NOTUM 2276/4885KDM4E 3340/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM COMT 2088/4885NOTUM 2276/4885KDM4E 3340/4885

“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.