SCHEMBL20100850

SCHEMBL20100850

N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1c[n+]([O-])ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.69
COMT P21964 4/20 0.69
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
GPR35 Q9HC97 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL23255062 0.89 FTO (0.69) FTOCOMTKMT2AMAPTMEN1
SCHEMBL20100848 0.81 COMT (1.00) FTOCOMTKMT2AMAPTMEN1
SCHEMBL28717432 0.81 FTO (1.00) FTOCOMTKMT2AMAPTMEN1
SCHEMBL29493668 0.81 FTO (1.00) FTOCOMTKMT2AMAPTMEN1
SCHEMBL20100851 0.81 FTO (1.00) FTOCOMTKMT2AMAPTMEN1
SCHEMBL20100849 0.80 FTO (0.64) FTOCOMTKMT2AMAPTMEN1
SCHEMBL29493656 0.80 FTO (0.64) FTOCOMTKMT2AMAPTMEN1
SCHEMBL29493650 0.79 FTO (0.76) FTOCOMTKMT2AMAPTMEN1
SCHEMBL28715873 0.79 FTO (0.76) FTOCOMTKMT2AMAPTMEN1
SCHEMBL20100853 0.79 FTO (0.76) FTOCOMTKMT2AMAPTMEN1

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 1/4885COMT 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.