SCHEMBL1026543

SCHEMBL1026543

CCOC(=O)c1ccc(C)c(N(CC(=O)O)CC(=O)N(C)N2Cc3ccccc3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.42
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 3/20 0.38
HSP90AA1 P07900 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL1026774 0.89 AHCY (0.39) AHCYALDH1A1
SCHEMBL1024145 0.89 AHCY (0.40) AHCYMEN1KMT2AALDH1A1MAPT
SCHEMBL1026802 0.88 AHCY (0.40) AHCYMEN1KMT2AALDH1A1KDM4E
SCHEMBL11975063 0.85 AHCY (0.60) AHCYMEN1KMT2AALDH1A1MAPT
SCHEMBL11975569 0.84 AHCY (0.49) AHCYMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL1026614 0.84 AHCY (0.43) AHCYSMN1; SMN2
Hydrochloric Acid SCHEMBL1026640 0.83 AHCY (0.42) AHCYALDH1A1SMN1; SMN2
SCHEMBL1025998 0.83 AHCY (0.41) AHCYMEN1KMT2AALDH1A1KDM4E
SCHEMBL1026661 0.83 AHCY (0.42) AHCYMEN1KMT2AALDH1A1KDM4E
SCHEMBL1027037 0.82 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E

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 AHCY 4108/4885MEN1 2301/4885KMT2A 2852/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885MEN1 514/4885KMT2A 1006/4885

“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.