SCHEMBL20893273

SCHEMBL20893273

Cc1c(O)c(=O)ccn1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.81
APP P05067 3/20 0.49
HRH3 Q9Y5N1 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM6A O15550 1/20 0.47
KDM4A O75164 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM5C P41229 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
DOHH Q9BU89 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
NOTUM Q6P988 1/20 0.46
MMP1 P03956 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42

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
SCHEMBL4248794 0.90 COMT (1.00) COMTAPPHRH3KDM4ETP53
SCHEMBL12492420 0.75 COMT (0.62) COMTAPPHRH3KDM4EHTT
SCHEMBL16415821 0.75 COMT (0.62) COMTAPPHRH3KDM4ETP53
SCHEMBL17567295 0.73 COMT (0.67) COMTAPPHRH3KDM4ETP53
SCHEMBL13485853 0.72 COMT (0.65) COMTAPPHRH3KDM4ETP53
SCHEMBL9206381 0.72 COMT (0.68) COMTKDM4ETP53CYP2D6HTT
SCHEMBL13485863 0.71 COMT (0.65) COMTAPPHRH3KDM4ESMN1; SMN2
SCHEMBL11626746 0.70 COMT (0.65) COMTKDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL19350464 0.70 COMT (0.78) COMT
SCHEMBL13485858 0.69 COMT (0.56) COMTAPPHRH3KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2088/4885APP 3299/4885HRH3 4139/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM COMT 2088/4885APP 3299/4885HRH3 4139/4885

“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.