SCHEMBL4024972

SCHEMBL4024972

CCOC(=O)c1nc(-c2occc2/C=C/c2ccccc2)n(C)c(=O)c1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MMP14 P50281 1/20 0.38
PTGS1 P23219 1/20 0.37
GRM4 Q14833 1/20 0.37
TARBP2 Q15633 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MTOR P42345 1/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL4026364 0.87 KDM4E (0.35) ADORA3GAAKDM4EALDH1A1HPGD
SCHEMBL6633396 0.80 PTGS1 (0.34) MAPTPTGS1KDM4EALDH1A1HPGD
SCHEMBL4031399 0.78 ERCC1 (0.49) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL4031394 0.78 ERCC1 (0.49) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL4027375 0.77 L3MBTL1 (0.49) ADORA3MEN1KMT2AGAAKDM4E
SCHEMBL4034683 0.73 NPC1 (0.36) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL22927688 0.69 CYP19A1 (0.42) ADORA3MEN1KMT2AMAPTKDM4E
SCHEMBL4026347 0.68 CDC7 (0.46) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL4026168 0.68 KDM5B (0.42) ADORA3MEN1KMT2AMAPTGAA
SCHEMBL29434810 0.68 LMNA (0.43) MEN1KMT2AMAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 US 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E ADORA3 2361/4885MEN1 4647/4885KMT2A 1574/4885

“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.