SCHEMBL5863951

SCHEMBL5863951

CCOC(=O)c1cc(NC(=O)OC(C)(C)C)cnc1CC#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 7/20 0.40
▸ AR P10275 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ DPP4 P27487 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
SCHEMBL5863937 0.87 MAPKAPK2 (0.39) MAPKAPK2KDM4EALDH1A1MAPTNPSR1
SCHEMBL5593053 0.83 ALDH1A1 (0.47) MAPKAPK2KDM4EALDH1A1MAPTGAA
SCHEMBL21769766 0.76 OPRK1 (0.44) KDM4EALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL5820080 0.74 ATR (0.42) MAPKAPK2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL22497793 0.73 ALDH1A1 (0.46) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL29374417 0.73 ALDH1A1 (0.46) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL29719412 0.72 CYP2C19 (0.54) KDM4EALDH1A1MAPTHSD17B10NPSR1
SCHEMBL1810634 0.72 NAMPT (0.45) MAPKAPK2KDM4EMAPTNPSR1
SCHEMBL4398673 0.72 CYP2C19 (0.54) KDM4EALDH1A1MAPTHSD17B10NPSR1
SCHEMBL25323091 0.72 ATR (0.49) MAPKAPK2EGLN2

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-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 — — US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 — — US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 — — US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 — — EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC MAPKAPK2 4258/4885AR 1553/4885KDM4E 2536/4885

“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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