SCHEMBL20100841

SCHEMBL20100841

N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.80
MAPT P10636 5/20 0.80
KMT2A Q03164 5/20 0.80
ALDH1A1 P00352 4/20 0.80
POLB P06746 2/20 0.80
HTT P42858 2/20 0.80
MAPK1 P28482 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
RECQL P46063 3/20 0.78
THRB P10828 1/20 0.78
BLM P54132 1/20 0.78
MCL1 Q07820 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
FTO Q9C0B1 4/20 0.60
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.53
COMT P21964 2/20 0.53

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
SCHEMBL20100825 0.78 FTO (0.61) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL5594939 0.78 MEN1 (0.66) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL20100834 0.78 MAPT (0.54) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL27983252 0.76 MEN1 (0.82) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL28714351 0.75 FTO (0.69) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL29493668 0.75 FTO (1.00) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL30589724 0.75 MEN1 (0.78) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL28717432 0.75 FTO (1.00) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL20100851 0.75 FTO (1.00) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL29493663 0.75 FTO (0.69) MEN1MAPTKMT2AALDH1A1POLB

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 MEN1 1311/4885MAPT 1635/4885KMT2A 3759/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R MEN1 1311/4885MAPT 1635/4885KMT2A 3759/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 MEN1 3683/4885MAPT 3510/4885KMT2A 184/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 MEN1 3683/4885MAPT 3510/4885KMT2A 184/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 MEN1 3683/4885MAPT 3510/4885KMT2A 184/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 MEN1 3683/4885MAPT 3510/4885KMT2A 184/4885

“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.