SCHEMBL20100838

SCHEMBL20100838

Cc1ccc(/C(C#N)=C/c2cc(O)c(O)c([N+](=O)[O-])c2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.70
COMT P21964 3/20 0.70
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
GPR35 Q9HC97 2/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL20100853 0.82 FTO (0.76) FTOCOMTKMT2AMEN1MAPT
SCHEMBL29493668 0.82 FTO (1.00) FTOCOMTKMT2AMEN1MAPT
SCHEMBL28717432 0.82 FTO (1.00) FTOCOMTKMT2AMEN1MAPT
SCHEMBL28715873 0.82 FTO (0.76) FTOCOMTKMT2AMEN1MAPT
SCHEMBL20100851 0.82 FTO (1.00) FTOCOMTKMT2AMEN1MAPT
SCHEMBL29493650 0.82 FTO (0.76) FTOCOMTKMT2AMEN1MAPT
SCHEMBL29493671 0.82 COMT (1.00) FTOCOMTKMT2AMEN1MAPT
SCHEMBL21932996 0.82 COMT (1.00) FTOCOMTKMT2AMEN1MAPT
SCHEMBL21932998 0.82 COMT (1.00) FTOCOMTKMT2AMEN1MAPT
SCHEMBL28715856 0.81 COMT (0.77) FTOCOMTKMT2AMEN1MAPT

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 469/4885KMT2A 3759/4885
US-20190183842-A1 Entacapone-related Compounds to Treat Macular Degeneration PDE6C, PDE6D, MC3R FTO 2501/4885COMT 469/4885KMT2A 3759/4885
US-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885KMT2A 184/4885
US-20210238127-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885KMT2A 184/4885
US-20200148628-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885KMT2A 184/4885
US-10988440-B2 FTO inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885COMT 9/4885KMT2A 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.