SCHEMBL3248973

SCHEMBL3248973

CCCCC/C=C(\C#N)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
EPHX1 P07099 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 2/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
PPARG P37231 7/20 0.36
PPARA Q07869 2/20 0.36
TRPA1 O75762 1/20 0.36
FBP1 P09467 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3248980 1.00 EP300 (0.42) EP300EPHX1SMN1; SMN2LMNAKDM4E
SCHEMBL27647414 0.98 EP300 (0.44) EP300EPHX1SMN1; SMN2LMNACYP2C9
SCHEMBL19573442 0.98 EP300 (0.44) EP300EPHX1SMN1; SMN2LMNACYP2C9
SCHEMBL5560343 0.95 KDM4E (0.38) EP300EPHX1SMN1; SMN2LMNAKDM4E
SCHEMBL27679283 0.87 CYP2C9 (0.40) SMN1; SMN2LMNAKDM4ECYP2C9ADORA2A
SCHEMBL17859724 0.87 CYP2C9 (0.40) SMN1; SMN2LMNAKDM4ECYP2C9ADORA2A
SCHEMBL1602956 0.86 EP300 (0.46) EP300LMNACYP2C9PPARGPPARA
SCHEMBL20261951 0.85 EP300 (0.46) EP300LMNACYP2C9PPARGPPARA
SCHEMBL6438050 0.85 EP300 (0.44) EP300LMNACYP2C9PPARGPPARA
SCHEMBL6696710 0.85 CYP2C9 (0.54) SMN1; SMN2LMNAKDM4ECYP2C9MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 EP300 3272/4885EPHX1 497/4885SMN1; SMN2 2757/4885

“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.