SCHEMBL20100827

SCHEMBL20100827

N#C/C(=C(/N)c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 6/20 0.59
COMT P21964 4/20 0.56
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL20100854 0.88 COMT (0.72) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL20100833 0.87 COMT (0.56) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL20100830 0.86 FTO (0.60) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL20100835 0.84 COMT (0.78) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL7363433 0.78 TTR (0.60) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL20100837 0.78 FTO (0.78) FTOCOMTMAPTKMT2AALDH1A1
Bromide SCHEMBL7367632 0.77 TTR (0.59) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL20100834 0.77 MAPT (0.54) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL20100831 0.76 FTO (0.62) FTOCOMTMAPTKMT2AALDH1A1
SCHEMBL20100832 0.74 FTO (0.75) FTOCOMTMAPTKMT2AALDH1A1

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 469/4885MAPT 1635/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R FTO 2501/4885COMT 469/4885MAPT 1635/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885MAPT 3510/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885MAPT 3510/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885MAPT 3510/4885
US-10988440-B2 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.