SCHEMBL20100849

SCHEMBL20100849

N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccc[n+]([O-])c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.64
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.56
COMT P21964 4/20 0.53
EGFR P00533 1/20 0.46
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
GPR35 Q9HC97 1/20 0.46
DBH P09172 1/20 0.46

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
SCHEMBL29493656 1.00 FTO (0.64) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL23255067 0.89 FTO (0.64) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL20100847 0.86 FTO (0.73) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL23255057 0.82 FTO (0.73) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL1447201 0.80 FTO (0.58) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL1447198 0.80 FTO (0.58) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL2687405 0.80 FTO (0.63) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL2687403 0.80 FTO (0.63) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL20100850 0.80 FTO (0.69) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL1446769 0.79 FTO (0.60) FTOMEN1KMT2AALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180118665-A1 FTO Inhibitors FTO, ALKBH3, ALKBH1 FTO 1/4885MEN1 3683/4885KMT2A 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.