SCHEMBL4937332

SCHEMBL4937332

CCN(CC)C(=O)C(C#N)=Cc1cc(OC(=O)Oc2ccccc2OC)c(OC(=O)Oc2ccccc2OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ FTO Q9C0B1 2/20 0.56
▸ ABCC3 O15438 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ COMT P21964 1/20 0.56
▸ GPR35 Q9HC97 1/20 0.56
▸ EGFR P00533 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 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
SCHEMBL4937320 1.00 MEN1 (0.56) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL14345708 0.91 MEN1 (0.46) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL4935282 0.90 KMT2A (0.57) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL4935276 0.90 KMT2A (0.57) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL4939490 0.90 FTO (0.61) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL4939448 0.90 MEN1 (0.56) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL4939455 0.90 MEN1 (0.56) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL5329066 0.89 FTO (0.62) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL5329070 0.89 FTO (0.62) MEN1KMT2AFTOABCC3ABCC4
SCHEMBL5325512 0.89 KMT2A (0.54) MEN1KMT2AFTOABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103191-A1 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2008-05-01 — — US claimed
WO-2007144169-A2 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2007-12-21 — — WO claimed
US-20080103191-A1 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2008-05-01 — — US disclosed
WO-2007144169-A2 ENTACAPONE-DERIVATIVES SCHWARZ PHARMA AG (DE) 2007-12-21 — — WO 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-20080103191-A1 ENTACAPONE-DERIVATIVES ENTPD5, ENTPD3, ENTPD1 MEN1 1023/4885KMT2A 4545/4885FTO 2243/4885

“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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