Sugi Predict

Sugi Predict / Compounds / SCHEMBL4617540

SCHEMBL4617540

SCHEMBL4617540

NC(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.55
▸ GABBR2 O75899 3/20 0.55
▸ GABBR1 Q9UBS5 3/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.46
▸ CACNA2D1 P54289 4/20 0.45
▸ CACNB1 Q02641 4/20 0.45
▸ CACNA1B Q00975 3/20 0.45

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
SCHEMBL1980002 0.91 KMT2A (0.55) CYP2C19GABBR2GABBR1CYP2C9LMNA
SCHEMBL4429372 0.87 CNR2 (0.51) CYP2C19GABBR2GABBR1CYP2C9LMNA
SCHEMBL4435855 0.87 CNR2 (0.52) LMNAMEN1KMT2ANPC1
SCHEMBL2356414 0.85 FNTA (0.52) CYP2C19LMNACACNA2D1CACNB1CACNA1B
SCHEMBL523877 0.83 GABBR2 (0.59) CYP2C19GABBR2GABBR1CYP2C9LMNA
SCHEMBL4435743 0.83 TNF (0.50) LMNA
SCHEMBL3520190 0.83 GABBR2 (0.63) CYP2C19GABBR2GABBR1CYP2C9LMNA
SCHEMBL28280929 0.83 GABBR2 (0.53) CYP2C19GABBR2GABBR1CYP2C9LMNA
SCHEMBL390453 0.82 CYP2C9 (0.50) CYP2C19GABBR2GABBR1CYP2C9LMNA
SCHEMBL19810879 0.82 CYP2C9 (0.50) CYP2C19GABBR2GABBR1CYP2C9LMNA

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-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors ELDRUP ANNE BETTINA 2008-11-13 — — US disclosed
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 — — EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 — — US disclosed
WO-2006121719-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 — — 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 (2 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-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors EPHX1, EPHX2, DOHH CYP2C19 348/4885GABBR2 3536/4885GABBR1 3335/4885
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 CYP2C19 1179/4885GABBR2 3734/4885GABBR1 3785/4885

“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.