SCHEMBL1028592

SCHEMBL1028592

CCOC(=O)CN(CC(=O)OCC)c1ccc(C(=O)NNC(C)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 1/20 0.36
GAA P10253 4/20 0.36
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ESR1 P03372 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
SCHEMBL1024063 0.90 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1TP53NPC1RAB9A
SCHEMBL1026492 0.85 CREBBP (0.40) SMN1; SMN2L3MBTL1TSHRALDH1A1POLB
SCHEMBL1028508 0.85 NPC1 (0.46) SMN1; SMN2TP53NPC1RAB9AGLA
SCHEMBL1025807 0.82 HCAR3 (0.43) L3MBTL1TSHRPOLBCA12CA1
SCHEMBL1028582 0.81 MMP2 (0.42) SMN1; SMN2TSHRALDH1A1CA12CA1
SCHEMBL1027959 0.81 SMPD1 (0.43) SMN1; SMN2TP53NPC1RAB9AGLA
SCHEMBL1026010 0.80 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1TP53NPC1RAB9A
SCHEMBL1197129 0.79 CA12 (0.36) SMN1; SMN2TSHRALDH1A1KDM4EPOLB
SCHEMBL1025855 0.77 NPC1 (0.35) SMN1; SMN2TP53NPC1RAB9AGLA
SCHEMBL1024093 0.77 CA12 (0.38) TSHRALDH1A1CA12CA1CA2

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 SMN1; SMN2 345/4885L3MBTL1 4196/4885TP53 1538/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 SMN1; SMN2 2462/4885L3MBTL1 1505/4885TP53 1633/4885

“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.