SCHEMBL20100867

SCHEMBL20100867

COc1cc(/C(O)=C(\C#N)C(=O)N2CCCCC2)cc([N+](=O)[O-])c1OC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 5/20 0.67
COMT P21964 2/20 0.62
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
TPMT P51580 1/20 0.41
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL29493686 1.00 FTO (0.67) FTOCOMTALDH1A1LMNARAB9A
SCHEMBL20100881 0.97 COMT (0.67) FTOCOMTALDH1A1LMNARAB9A
SCHEMBL20100894 0.86 COMT (0.53) FTOCOMTALDH1A1LMNARAB9A
SCHEMBL20100892 0.85 COMT (0.52) FTOCOMTALDH1A1LMNARAB9A
SCHEMBL8471655 0.81 TPMT (0.47) FTOCOMTALDH1A1KMT2AMEN1
SCHEMBL23865434 0.81 COMT (0.47) FTOCOMTALDH1A1KMT2AMEN1
SCHEMBL20100869 0.81 FTO (1.00) FTOCOMT
SCHEMBL28717335 0.81 FTO (1.00) FTOCOMT
SCHEMBL29493670 0.81 FTO (1.00) FTOCOMT
SCHEMBL29493687 0.81 FTO (1.00) FTOCOMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP 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 (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 9/4885ALDH1A1 274/4885

“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.