SCHEMBL20100892

SCHEMBL20100892

COc1cc(/C(N)=C(\C#N)C(=O)N2CCC2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.52
FTO Q9C0B1 2/20 0.48
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
TPMT P51580 1/20 0.39
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL20100881 0.88 COMT (0.67) COMTFTOKMT2AMEN1MAPT
SCHEMBL20100894 0.88 COMT (0.53) COMTFTOKMT2AMEN1MAPT
SCHEMBL29493686 0.85 FTO (0.67) COMTFTOKMT2AMEN1MAPT
SCHEMBL20100867 0.85 FTO (0.67) COMTFTOKMT2AMEN1MAPT
SCHEMBL23255049 0.82 ALDH1A1 (0.44) FTOKMT2AMEN1ALDH1A1POLB
SCHEMBL20100893 0.81 COMT (0.78) COMTFTOKMT2AMEN1MAPT
SCHEMBL23865303 0.79 ALDH1A1 (0.41) FTOKMT2AMEN1ALDH1A1POLB
SCHEMBL20100889 0.78 FTO (0.48) COMTFTOKMT2AMEN1MAPT
SCHEMBL20100886 0.78 FTO (0.69) COMTFTOKMT2AMEN1MAPT
SCHEMBL28715850 0.78 FTO (0.78) COMTFTOKMT2AMEN1MAPT

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
CN-107922316-B FTO inhibitors 北京生命科学研究所 2022-04-08 CN disclosed
US-20180118665-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-03 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-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 COMT 9/4885FTO 1/4885KMT2A 184/4885

“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.