SCHEMBL1026010

SCHEMBL1026010

CCOC(=O)CN(CC(=O)OCC)c1cc(C(=O)NNC(=O)OC)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.37
NLRP3 Q96P20 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
DUSP3 P51452 1/20 0.34

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) ALDH1A1TDP1SMN1; SMN2L3MBTL1NLRP3
SCHEMBL1027534 0.81 NPC1 (0.46) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL1027895 0.80 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1NLRP3TSHR
SCHEMBL1026653 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1025871 0.80 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2L3MBTL1NLRP3
SCHEMBL1028592 0.80 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL1025793 0.79 ALDH1A1 (0.45) ALDH1A1TDP1SMN1; SMN2NLRP3KMT2A
SCHEMBL1028604 0.77 ALDH1A1 (0.43) ALDH1A1TDP1SMN1; SMN2NLRP3KDM4E
SCHEMBL1025928 0.75 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL1025939 0.75 ALDH1A1 (0.47) ALDH1A1TSHR

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 ALDH1A1 180/4885TDP1 4245/4885SMN1; SMN2 345/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885TDP1 744/4885SMN1; 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.