SCHEMBL20100834

SCHEMBL20100834

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
HTT P42858 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
THRB P10828 3/20 0.52
RECQL P46063 3/20 0.52
BLM P54132 3/20 0.52
MCL1 Q07820 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
FTO Q9C0B1 2/20 0.48
COMT P21964 2/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 2/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43

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 0.89 FTO (0.61) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL24386469 0.78 MAPT (0.52) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL20100841 0.78 MEN1 (0.80) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL20100837 0.77 FTO (0.78) MAPTKMT2AMEN1ALDH1A1RECQL
SCHEMBL20100827 0.77 FTO (0.59) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL20100831 0.73 FTO (0.62) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL20100833 0.72 COMT (0.56) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL687503 0.70 MAPT (0.68) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL687502 0.70 MAPT (0.68) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL20100835 0.70 COMT (0.78) MAPTKMT2AMEN1ALDH1A1RECQL

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

“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.