SCHEMBL20100859

SCHEMBL20100859

COc1cc(/C(O)=C(\C#N)c2cnccn2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.83
COMT P21964 2/20 0.67
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AGTR1 P30556 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
TPMT P51580 1/20 0.39
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL28717463 1.00 FTO (0.83) FTOCOMTMAPTLMNAKDM4E
SCHEMBL29493665 1.00 FTO (0.83) FTOCOMTMAPTLMNAKDM4E
SCHEMBL20100826 0.91 FTO (1.00) FTOCOMTMAPTKDM4EHTT
SCHEMBL28720678 0.86 FTO (0.63) FTOCOMTHTTALDH1A1KMT2A
SCHEMBL28720676 0.86 FTO (0.63) FTOCOMTHTTALDH1A1KMT2A
SCHEMBL29493674 0.85 FTO (0.62) FTOCOMTMAPTL3MBTL1KMT2A
SCHEMBL20100860 0.85 FTO (0.62) FTOCOMTMAPTL3MBTL1KMT2A
SCHEMBL20100858 0.85 FTO (0.62) FTOCOMTMAPTLMNAKDM4E
SCHEMBL28717367 0.84 FTO (0.61) FTOCOMTMAPTHTTKMT2A
SCHEMBL28717364 0.84 FTO (0.61) FTOCOMTMAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885COMT 9/4885MAPT 3510/4885

“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.