SCHEMBL1028136

SCHEMBL1028136

CCNCCN(CC(=O)N(C)N1Cc2ccccc2C1)C(=O)CNc1cc(-c2nn(CC)c(=O)o2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.38
AHCY P23526 1/20 0.35
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ACKR3 P25106 6/20 0.33
GAA P10253 1/20 0.31

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
Hydrochloric Acid SCHEMBL1025536 0.99 IL2 (0.37) IL2AHCYGRIN1GRIN2BACKR3
Hydrochloric Acid SCHEMBL1026783 0.94 IL2 (0.36) IL2AHCYGRIN1GRIN2BACKR3
SCHEMBL1028131 0.92 AHCY (0.35) IL2AHCYGRIN1GRIN2BACKR3
SCHEMBL1028092 0.92 ACKR3 (0.37) IL2GRIN1GRIN2BACKR3GAA
Hydrochloric Acid SCHEMBL1026359 0.91 AHCY (0.36) IL2AHCYGRIN1GRIN2BACKR3
Hydrochloric Acid SCHEMBL1024199 0.91 ACKR3 (0.37) IL2AHCYGRIN1GRIN2BACKR3
SCHEMBL1028688 0.86 IL2 (0.35) IL2AHCYGRIN1GRIN2BACKR3
Hydrochloric Acid SCHEMBL1027611 0.86 AHCY (0.36) IL2AHCYGRIN1GRIN2BACKR3
Hydrochloric Acid SCHEMBL1028346 0.85 ACKR3 (0.37) IL2AHCYGRIN1GRIN2BACKR3
SCHEMBL1025983 0.85 ACKR3 (0.42) IL2AHCYGRIN1GRIN2BACKR3

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 10 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 claimed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP claimed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US claimed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US claimed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP claimed
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 IL2 1242/4885AHCY 4108/4885GRIN1 609/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 IL2 4570/4885AHCY 4/4885GRIN1 1116/4885

“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.