SCHEMBL4939177

SCHEMBL4939177

CCCOC(=O)Oc1cc(/C=C(\C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 8/20 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 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 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
SCHEMBL4939184 1.00 FTO (0.67) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4940519 0.95 FTO (0.63) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4940512 0.95 FTO (0.63) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4939116 0.95 FTO (0.65) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4939120 0.95 FTO (0.65) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4940726 0.94 FTO (0.64) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4940731 0.94 FTO (0.64) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4939534 0.93 FTO (0.63) FTOCOMTMEN1KMT2AABCC3
SCHEMBL5328263 0.93 FTO (0.63) FTOCOMTMEN1KMT2AABCC3
SCHEMBL4939529 0.93 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 7 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
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