SCHEMBL4939092

SCHEMBL4939092

CCCOC(=O)Oc1cc(/C=C(\C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1OC(=O)OCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 5/20 0.59
▸ COMT P21964 4/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ GPR35 Q9HC97 1/20 0.59
▸ EGFR P00533 3/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MITF O75030 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4939097 1.00 FTO (0.59) FTOCOMTKMT2ALMNAMEN1
SCHEMBL5327822 0.95 FTO (0.57) FTOCOMTKMT2ALMNAMEN1
SCHEMBL5327829 0.95 FTO (0.57) FTOCOMTKMT2ALMNAMEN1
SCHEMBL4933272 0.93 KMT2A (0.55) FTOCOMTKMT2ALMNAMEN1
SCHEMBL4933268 0.93 KMT2A (0.55) FTOCOMTKMT2ALMNAMEN1
SCHEMBL5333720 0.92 FTO (0.56) FTOCOMTKMT2ALMNAMEN1
SCHEMBL5333724 0.92 FTO (0.56) FTOCOMTKMT2ALMNAMEN1
SCHEMBL4939184 0.91 FTO (0.67) FTOCOMTKMT2ALMNAMEN1
SCHEMBL4939177 0.91 FTO (0.67) FTOCOMTKMT2ALMNAMEN1
SCHEMBL5329066 0.90 FTO (0.62) FTOCOMTKMT2ALMNAMEN1

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 365/4885KMT2A 4545/4885

“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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