SCHEMBL1028508

SCHEMBL1028508

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
P2RY12 Q9H244 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1027534 0.90 NPC1 (0.46) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1028592 0.85 SMN1; SMN2 (0.41) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1027959 0.83 SMPD1 (0.43) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1026492 0.83 CREBBP (0.40) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A
SCHEMBL1025807 0.80 HCAR3 (0.43) TDP1MEN1KMT2APOLB
SCHEMBL1028582 0.79 MMP2 (0.42) ALDH1A1SMN1; SMN2TDP1KMT2ALMNA
SCHEMBL1197129 0.77 CA12 (0.36) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL1025855 0.75 NPC1 (0.35) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1024093 0.75 CA12 (0.38) ALDH1A1LMNA
SCHEMBL1024063 0.75 ALDH1A1 (0.44) NPC1RAB9ATP53GLAALDH1A1

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 NPC1 450/4885RAB9A 1221/4885TP53 1538/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 NPC1 1230/4885RAB9A 3994/4885TP53 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.