SCHEMBL20100836

SCHEMBL20100836

COc1cc(/C(N)=C(\C#N)c2cnccn2)cc([N+](=O)[O-])c1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.80
COMT P21964 3/20 0.59
EGFR P00533 2/20 0.45
TTR P02766 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.39
AGTR1 P30556 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C1 Q04828 2/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 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
SCHEMBL20100826 0.89 FTO (1.00) FTOCOMTEGFRTTRALDH1A1
SCHEMBL20100835 0.86 COMT (0.78) FTOCOMTALDH1A1MAPTKMT2A
SCHEMBL20100830 0.86 FTO (0.60) FTOCOMTEGFRTTRALDH1A1
SCHEMBL23255077 0.82 FTO (0.54) FTOCOMTEGFRALDH1A1MAPT
SCHEMBL20100859 0.80 FTO (0.83) FTOCOMTALDH1A1MAPTAGTR1
SCHEMBL29493665 0.80 FTO (0.83) FTOCOMTALDH1A1MAPTAGTR1
SCHEMBL28717463 0.80 FTO (0.83) FTOCOMTALDH1A1MAPTAGTR1
SCHEMBL28717460 0.77 FTO (0.51) FTOCOMTTTRALDH1A1MAPT
SCHEMBL28717457 0.77 FTO (0.51) FTOCOMTTTRALDH1A1MAPT
SCHEMBL28715843 0.76 FTO (0.48) FTOCOMTALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238127-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-05 US disclosed
US-10988440-B2 FTO inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-04-27 US disclosed
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP disclosed
US-10980766-B2 Entacapone-related compounds to treat macular degeneration NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-04-20 US disclosed
US-20200148628-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-05-14 US disclosed
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-06-20 US disclosed
US-20180118665-A1 FTO Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-05-03 US 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 (6 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-10980766-B2 Entacapone-related compounds to treat macular degeneration PDE6C, PDE6D, MC3R FTO 2501/4885COMT 469/4885EGFR 873/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R FTO 2501/4885COMT 469/4885EGFR 873/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885EGFR 4024/4885

“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.