SCHEMBL4619984

SCHEMBL4619984

CCOC(=O)C(C#N)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP19A1 P11511 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX12 P18054 1/20 0.42
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.41
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL5711693 0.88 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1SMN1; SMN2GAA
SCHEMBL1554743 0.87 CYP19A1 (0.49) ALDH1A1CYP19A1LMNASMN1; SMN2GAA
SCHEMBL1554741 0.87 CYP19A1 (0.49) ALDH1A1CYP19A1LMNASMN1; SMN2GAA
SCHEMBL9726685 0.85 MAPT (0.51) ALDH1A1LMNAMAPK1GAATDP1
Etocrylene SCHEMBL1768864 0.84 ALDH1A1 (0.62) ALDH1A1CYP19A1LMNAMAPK1SMN1; SMN2
Etocrylene SCHEMBL39390 0.84 ALDH1A1 (0.62) ALDH1A1CYP19A1LMNAMAPK1SMN1; SMN2
SCHEMBL5947933 0.84 LMNA (0.47) ALDH1A1LMNAMAPK1SMN1; SMN2GAA
Etocrylene SCHEMBL4076085 0.83 ALDH1A1 (0.61) ALDH1A1CYP19A1LMNAMAPK1SMN1; SMN2
SCHEMBL8998904 0.82 LMNA (0.57) ALDH1A1CYP19A1LMNAMAPK1SMN1; SMN2
SCHEMBL8998907 0.82 LMNA (0.57) ALDH1A1CYP19A1LMNAMAPK1SMN1; SMN2

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 6 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-1934182-A1 N-SUBSTITUTED PYRIDINONE OR PYRIMIDINONE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-25 EP disclosed
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 EP disclosed
WO-2007044491-A1 N-SUBSTITUTED PYRIDINONE OR PYRIMIDINONE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 WO 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 ALDH1A1 292/4885CYP19A1 582/4885LMNA 1507/4885
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 ALDH1A1 385/4885CYP19A1 706/4885LMNA 3647/4885

“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.