SCHEMBL20100878

SCHEMBL20100878

COc1cc(/C(O)=C(\C#N)C(=O)NC2CC2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
FTO Q9C0B1 4/20 0.44
TPMT P51580 1/20 0.41
COMT P21964 3/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCAR3 P49019 1/20 0.37

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
SCHEMBL20100889 0.89 FTO (0.48) ALDH1A1SMN1; SMN2LMNAFTOTPMT
SCHEMBL20100890 0.85 TDP1 (0.45) ALDH1A1SMN1; SMN2LMNAFTOTPMT
SCHEMBL20100877 0.83 FTO (0.53) ALDH1A1FTOTPMTCOMTMEN1
SCHEMBL21998847 0.81 FTO (0.44) ALDH1A1FTOTPMTCOMTMEN1
SCHEMBL8471655 0.81 TPMT (0.47) ALDH1A1FTOTPMTCOMTMEN1
SCHEMBL20100879 0.81 FTO (0.67) ALDH1A1LMNAFTOCOMTHPGD
SCHEMBL20100881 0.78 COMT (0.67) ALDH1A1SMN1; SMN2LMNAFTOTPMT
SCHEMBL20100863 0.77 COMT (0.70) ALDH1A1SMN1; SMN2LMNAFTOCOMT
SCHEMBL29493686 0.77 FTO (0.67) ALDH1A1SMN1; SMN2LMNAFTOTPMT
SCHEMBL20100867 0.77 FTO (0.67) ALDH1A1SMN1; SMN2LMNAFTOTPMT

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 4 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-20210238127-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-05 US disclosed
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP 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 (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-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 ALDH1A1 274/4885SMN1; SMN2 2151/4885LMNA 3698/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 ALDH1A1 274/4885SMN1; SMN2 2151/4885LMNA 3698/4885

“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.