SCHEMBL1027289

SCHEMBL1027289

CCOC(=O)CN(CC(=O)OCC)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
PTPN1 P18031 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
LMNA P02545 2/20 0.44
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
GSTO1 P78417 1/20 0.41
TSHR P16473 1/20 0.41
SQOR Q9Y6N5 1/20 0.41

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
SCHEMBL3140841 0.88 SCN1A (0.43) SMN1; SMN2PTPN1LMNASCN1ASCN2A
SCHEMBL18055614 0.85 TDP1 (0.53) SMN1; SMN2TDP1CYP4F2CYP4A11LMNA
SCHEMBL1027877 0.79 TDP1 (0.54) SMN1; SMN2TDP1LMNAMEN1KMT2A
SCHEMBL12762278 0.78 SMN1; SMN2 (0.54) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL8624227 0.77 SMN1; SMN2 (0.57) SMN1; SMN2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL5465593 0.77 TDP1 (0.56) TDP1CYP4F2CYP4A11LMNAMEN1
SCHEMBL17845874 0.76 ALDH1A1 (0.46) SMN1; SMN2TDP1CYP4F2CYP4A11LMNA
SCHEMBL29535405 0.76 TDP1 (0.74) SMN1; SMN2TDP1CYP4F2CYP4A11LMNA
SCHEMBL3194093 0.75 TDP1 (0.38) SMN1; SMN2PTPN1TDP1CYP4F2CYP4A11
SCHEMBL29860185 0.75 TDP1 (0.38) SMN1; SMN2PTPN1TDP1CYP4F2CYP4A11

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 345/4885PTPN1 2776/4885TDP1 4245/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 SMN1; SMN2 2462/4885PTPN1 3251/4885TDP1 744/4885

“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.