SCHEMBL20100889

SCHEMBL20100889

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.48
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
COMT P21964 2/20 0.41
MAPT P10636 6/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
TPMT P51580 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 1/20 0.37
MITF O75030 1/20 0.37
GAA P10253 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
SCHEMBL20100878 0.89 ALDH1A1 (0.48) FTOALDH1A1LMNASMN1; SMN2COMT
SCHEMBL20100886 0.83 FTO (0.69) FTOALDH1A1COMTMAPTMEN1
SCHEMBL20100888 0.81 FTO (0.68) FTOALDH1A1LMNACOMTMAPT
SCHEMBL20100892 0.78 COMT (0.52) FTOALDH1A1LMNASMN1; SMN2COMT
SCHEMBL8471655 0.76 TPMT (0.47) FTOALDH1A1COMTMAPTMEN1
SCHEMBL28717359 0.74 FTO (0.54) FTOALDH1A1COMTMAPTMEN1
SCHEMBL20100890 0.74 TDP1 (0.45) FTOALDH1A1LMNASMN1; SMN2COMT
SCHEMBL20100891 0.73 TDP1 (0.44) FTOALDH1A1LMNASMN1; SMN2COMT
SCHEMBL28715841 0.73 FTO (0.48) FTOALDH1A1LMNACOMTMAPT
SCHEMBL28715843 0.73 FTO (0.48) FTOALDH1A1LMNACOMTMAPT

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 FTO 1/4885ALDH1A1 274/4885LMNA 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.