SCHEMBL14573318

SCHEMBL14573318

CCN(CC)C(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.77
▸ KMT2A Q03164 4/20 0.77
▸ FTO Q9C0B1 4/20 0.77
▸ COMT P21964 4/20 0.77
▸ ABCC3 O15438 1/20 0.77
▸ ABCC4 O15439 1/20 0.77
▸ ABCB11 O95342 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ CYP2C9 P11712 1/20 0.77
▸ GPR35 Q9HC97 1/20 0.77
▸ EGFR P00533 3/20 0.67
▸ MAPT P10636 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ POLB P06746 2/20 0.49
▸ MCL1 Q07820 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL1405287 1.00 MEN1 (0.77) MEN1KMT2AFTOCOMTABCC3
SCHEMBL1405285 1.00 MEN1 (0.77) MEN1KMT2AFTOCOMTABCC3
SCHEMBL4933461 0.91 FTO (0.75) MEN1KMT2AFTOCOMTABCC3
SCHEMBL4855685 0.91 KMT2A (0.75) MEN1KMT2AFTOCOMTABCC3
SCHEMBL4855680 0.91 KMT2A (0.75) MEN1KMT2AFTOCOMTABCC3
SCHEMBL4609378 0.90 MEN1 (0.68) MEN1KMT2AFTOCOMTABCC3
SCHEMBL4609366 0.90 MEN1 (0.68) MEN1KMT2AFTOCOMTABCC3
SCHEMBL5323630 0.90 FTO (0.71) MEN1KMT2AFTOCOMTABCC3
SCHEMBL5323628 0.90 FTO (0.71) MEN1KMT2AFTOCOMTABCC3
SCHEMBL4939474 0.90 FTO (0.74) MEN1KMT2AFTOCOMTABCC3

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-1699753-B1 IMPROVED PROCESS FOR THE PREPARATION OF ENTACAPONE SUVEN LIFE SCIENCES LTD (IN) 2014-11-26 — — EP disclosed
US-20070060767-A1 Methods for the preparation of Entacapone SUVEN LIFE SCIENCES (IN) 2007-03-15 — — 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-20070060767-A1 Methods for the preparation of Entacapone OTC, NAAA, GNE MEN1 1942/4885KMT2A 676/4885FTO 353/4885

“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.

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