SCHEMBL5324825

SCHEMBL5324825

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 7/20 0.67
▸ COMT P21964 5/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ ABCC3 O15438 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ GPR35 Q9HC97 1/20 0.67
▸ EGFR P00533 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PTP4A3 O75365 1/20 0.41
▸ PTP4A2 Q12974 1/20 0.41
▸ PTP4A1 Q93096 1/20 0.41

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
SCHEMBL5324828 1.00 FTO (0.67) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4941843 0.93 FTO (0.65) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4941789 0.93 FTO (0.65) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4933461 0.92 FTO (0.75) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4943265 0.92 FTO (0.66) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4943255 0.92 FTO (0.66) FTOCOMTMEN1KMT2AABCC3
SCHEMBL14345844 0.92 FTO (0.66) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5323630 0.92 FTO (0.71) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5323628 0.92 FTO (0.71) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4938761 0.91 FTO (0.63) FTOCOMTMEN1KMT2AABCC3

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 disclosed
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
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 FTO 2243/4885COMT 365/4885MEN1 1023/4885

“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.

Send feedback