SCHEMBL1025855

SCHEMBL1025855

CCOC(=O)CN(CC(=O)OCC)c1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 3/20 0.33
PTPRC P08575 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ABCB1 P08183 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 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
SCHEMBL1025928 0.92 ALDH1A1 (0.38) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1029721 0.88 ALDH1A1 (0.35) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1027539 0.88 HDAC3 (0.33) ALDH1A1MAPTSMN1; SMN2LMNAPTPRC
SCHEMBL1024093 0.82 CA12 (0.38) ALDH1A1LMNACA12CA1CA2
SCHEMBL1029808 0.80 ALDH1A1 (0.37) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1028023 0.79 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAPTPRC
SCHEMBL1025037 0.77 HDAC1 (0.34) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL1024888 0.77 AHCY (0.38)
SCHEMBL1028592 0.77 SMN1; SMN2 (0.41) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL1028508 0.75 NPC1 (0.46) 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.