SCHEMBL1027471

SCHEMBL1027471

CCOC(=O)CN(CC(=O)OCC)c1cc2c(cc1C)C(=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
NLRP3 Q96P20 3/20 0.34
HSD17B1 P14061 1/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
BRAF P15056 1/20 0.33
EIF2AK3 Q9NZJ5 1/20 0.33
HTT P42858 1/20 0.33
PBRM1 Q86U86 1/20 0.33
AOC3 Q16853 2/20 0.32
AR P10275 1/20 0.32
ACACB O00763 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL1026129 0.83 PBRM1 (0.36) BRD4HSD17B1HSD17B10PBRM1ACACB
SCHEMBL1026058 0.78 PBRM1 (0.36) BRD4HSD17B1HSD17B10PBRM1ACACB
SCHEMBL1026706 0.78 CYP11B2 (0.40) BRD4NLRP3
SCHEMBL1027483 0.77 KDM4E (0.43) BRD4ALDH1A1NLRP3HSD17B1KDM4E
SCHEMBL12721178 0.74 HSD17B1 (0.33) BRD4HSD17B1HSD17B10PBRM1
SCHEMBL1026229 0.71 LMNA (0.45) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL1027379 0.70 BAZ2B (0.42) HSD17B1KMT2AMEN1
SCHEMBL12937753 0.69 BRD4 (0.67) BRD4ALDH1A1GAAKDM4EKMT2A
SCHEMBL25335549 0.69 HSD17B1 (0.40) BRD4HSD17B1KMT2AHSD17B10MEN1
SCHEMBL29625244 0.69 HSD17B1 (0.40) BRD4HSD17B1KMT2AHSD17B10MEN1

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
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 BRD4 1310/4885ALDH1A1 180/4885GAA 541/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 BRD4 2156/4885ALDH1A1 600/4885GAA 1870/4885

“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.