SCHEMBL1027602

SCHEMBL1027602

CCOC(=O)CN(CC(=O)OCC)c1ccc(-c2nnc(C)s2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 3/20 0.38
USP2 O75604 1/20 0.38
GSK3B P49841 7/20 0.36
DYRK1A Q13627 7/20 0.36
WNT1 P04628 5/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PDE10A Q9Y233 3/20 0.36
PDE2A O00408 1/20 0.36
PDE5A O76074 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1196564 0.91 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1026923 0.85 GSK3B (0.39) GSK3BDYRK1AWNT1
SCHEMBL1027887 0.82 CDC7 (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1025963 0.76 MAPT (0.50) TP53
SCHEMBL1024176 0.75 GSK3B (0.37) GSK3BDYRK1AWNT1
SCHEMBL1026690 0.73 HTT (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1026326 0.73 CDC7 (0.40) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1027353 0.72 PPARG (0.36) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL1024869 0.72 PDCD1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDTDP1
SCHEMBL1026492 0.71 CREBBP (0.40) ALDH1A1SMN1; SMN2L3MBTL1MEN1POLB

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 KDM4E 3723/4885ALDH1A1 180/4885SMN1; SMN2 345/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KDM4E 2360/4885ALDH1A1 600/4885SMN1; SMN2 2462/4885

“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.