SCHEMBL20100858

SCHEMBL20100858

COc1cc(/C(O)=C(\C#N)c2ccccn2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.62
COMT P21964 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL23865110 0.92 FTO (0.55) FTOCOMTRAB9ANPC1KMT2A
SCHEMBL20100832 0.91 FTO (0.75) FTOCOMTRAB9ANPC1KMT2A
SCHEMBL20100860 0.88 FTO (0.62) FTOCOMTRAB9ANPC1KMT2A
SCHEMBL29493674 0.88 FTO (0.62) FTOCOMTRAB9ANPC1KMT2A
SCHEMBL20100859 0.85 FTO (0.83) FTOCOMTRAB9ANPC1KMT2A
SCHEMBL29493665 0.85 FTO (0.83) FTOCOMTRAB9ANPC1KMT2A
SCHEMBL28717463 0.85 FTO (0.83) FTOCOMTRAB9ANPC1KMT2A
SCHEMBL28720676 0.82 FTO (0.63) FTOCOMTKMT2AMEN1HTT
SCHEMBL28720678 0.82 FTO (0.63) FTOCOMTKMT2AMEN1HTT
SCHEMBL7372700 0.81 RAB9A (0.56) RAB9ANPC1KMT2ASMN1; SMN2MITF

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 9/4885RAB9A 2249/4885

“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.