SCHEMBL20100825

SCHEMBL20100825

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 4/20 0.61
MAPT P10636 10/20 0.55
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
HTT P42858 5/20 0.55
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
LMNA P02545 2/20 0.55
COMT P21964 4/20 0.53
TSHR P16473 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
BLM P54132 2/20 0.52
MCL1 Q07820 2/20 0.52
THRB P10828 2/20 0.52
RECQL P46063 2/20 0.52

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
SCHEMBL20100834 0.89 MAPT (0.54) FTOMAPTKMT2AMEN1HTT
SCHEMBL19914191 0.81 MAPT (0.57) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL20100831 0.81 FTO (0.62) FTOMAPTKMT2AMEN1ALDH1A1
SCHEMBL687502 0.80 MAPT (0.68) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL687503 0.80 MAPT (0.68) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL24386469 0.79 MAPT (0.52) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL20100841 0.78 MEN1 (0.80) FTOMAPTKMT2AMEN1HTT
SCHEMBL8022915 0.77 MAPT (0.82) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL20100824 0.76 FTO (1.00) FTOMAPTKMT2AMEN1ALDH1A1
SCHEMBL20100854 0.76 COMT (0.72) FTOMAPTKMT2AMEN1ALDH1A1

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 2501/4885MAPT 1635/4885KMT2A 3759/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R FTO 2501/4885MAPT 1635/4885KMT2A 3759/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885MAPT 3510/4885KMT2A 184/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885MAPT 3510/4885KMT2A 184/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885MAPT 3510/4885KMT2A 184/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885MAPT 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.