SCHEMBL20100890

SCHEMBL20100890

COc1cc(/C(O)=C(\C#N)C(=O)NCC2CC2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
FTO Q9C0B1 5/20 0.42
COMT P21964 3/20 0.40
TPMT P51580 1/20 0.39
KDM4E B2RXH2 1/20 0.38
EGFR P00533 1/20 0.38
ABCB1 P08183 2/20 0.37
ABCC1 P33527 2/20 0.37
LMNA P02545 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
SCHEMBL20100891 0.89 TDP1 (0.44) TDP1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL20100877 0.87 FTO (0.53) TDP1ALDH1A1KMT2AMEN1FTO
SCHEMBL20100878 0.85 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL21998847 0.85 FTO (0.44) ALDH1A1KMT2AMEN1FTOCOMT
SCHEMBL8471655 0.79 TPMT (0.47) ALDH1A1KMT2AMEN1HTTFTO
SCHEMBL20100872 0.78 FTO (0.43) ALDH1A1KMT2ASMN1; SMN2FTOCOMT
SCHEMBL29493680 0.78 FTO (0.43) ALDH1A1KMT2ASMN1; SMN2FTOCOMT
SCHEMBL4608767 0.76 FTO (0.68) TDP1ALDH1A1KMT2AMEN1HPGD
SCHEMBL4608763 0.76 FTO (0.68) TDP1ALDH1A1KMT2AMEN1HPGD
SCHEMBL4609816 0.76 FTO (0.68) TDP1ALDH1A1KMT2AMEN1HPGD

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 TDP1 1000/4885ALDH1A1 274/4885KMT2A 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.