SCHEMBL1025858

SCHEMBL1025858

CCN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CYP19A1 P11511 1/20 0.45
NPY5R Q15761 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.43
SLC10A6 Q3KNW5 1/20 0.43

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
SCHEMBL31690564 0.95 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL4371394 0.95 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL3819686 0.90 KMT2A (0.48) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL3517984 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL7898704 0.86 NPY5R (0.50) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL1024656 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL25352345 0.82 F13A1 (0.52) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL3821162 0.82 MEN1 (0.47) ALDH1A1KMT2AMEN1CYP19A1
SCHEMBL3815824 0.82 MEN1 (0.47) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL3815821 0.82 MEN1 (0.47) ALDH1A1KMT2AMEN1THRBCA1

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 180/4885KMT2A 2852/4885MEN1 2301/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885KMT2A 1006/4885MEN1 514/4885

“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.