SCHEMBL20100852

SCHEMBL20100852

N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.76
COMT P21964 2/20 0.68
MAPT P10636 2/20 0.57
RECQL P46063 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
EGFR P00533 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49

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
SCHEMBL28717454 1.00 FTO (0.76) FTOCOMTMAPTRECQLMEN1
SCHEMBL28717451 1.00 FTO (0.76) FTOCOMTMAPTRECQLMEN1
SCHEMBL20100844 0.86 FTO (1.00) FTOCOMTMAPTRECQLMEN1
SCHEMBL20100839 0.86 FTO (1.00) FTOCOMTMAPTRECQLMEN1
SCHEMBL3579910 0.81 FTO (0.70) FTOCOMTMAPTRECQLMEN1
SCHEMBL3579914 0.81 FTO (0.70) FTOCOMTMAPTRECQLMEN1
SCHEMBL20100848 0.81 COMT (1.00) FTOCOMTMAPTRECQLMEN1
SCHEMBL29493657 0.80 FTO (0.75) FTOCOMTMAPTRECQLMEN1
SCHEMBL20100855 0.80 FTO (0.75) FTOCOMTMAPTRECQLMEN1
SCHEMBL8398871 0.80 FTO (0.75) FTOCOMTMAPTRECQLMEN1

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.