SCHEMBL20100830

SCHEMBL20100830

COc1cc(/C(N)=C(\C#N)c2ccccn2)cc([N+](=O)[O-])c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.60
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ATM Q13315 1/20 0.46
EGFR P00533 2/20 0.45
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
COMT P21964 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
TTR P02766 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
SCHEMBL20100832 0.89 FTO (0.75) FTONPC1RAB9AMAPTKMT2A
SCHEMBL20100827 0.86 FTO (0.59) FTONPC1RAB9AMAPTKMT2A
SCHEMBL20100836 0.86 FTO (0.80) FTONPC1RAB9AMAPTKMT2A
SCHEMBL23255076 0.82 MEN1 (0.47) FTONPC1RAB9AMAPTKMT2A
SCHEMBL20100858 0.80 FTO (0.62) FTONPC1RAB9AMAPTKMT2A
SCHEMBL20100826 0.75 FTO (1.00) FTORAB9AMAPTKMT2AMEN1
SCHEMBL20100854 0.75 COMT (0.72) FTONPC1RAB9AMAPTKMT2A
SCHEMBL23865110 0.74 FTO (0.55) FTONPC1RAB9AMAPTKMT2A
SCHEMBL20100833 0.74 COMT (0.56) FTORAB9AMAPTKMT2AMEN1
SCHEMBL28717460 0.73 FTO (0.51) FTONPC1RAB9AMAPTKMT2A

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 2501/4885NPC1 1083/4885RAB9A 690/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R FTO 2501/4885NPC1 1083/4885RAB9A 690/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885NPC1 1130/4885RAB9A 2249/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885NPC1 1130/4885RAB9A 2249/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885NPC1 1130/4885RAB9A 2249/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885NPC1 1130/4885RAB9A 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.