SCHEMBL11895413

SCHEMBL11895413

CC(C)N(CCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHCY P23526 9/20 0.54
ALDH1A1 P00352 1/20 0.38
ACKR3 P25106 2/20 0.37
NAMPT P43490 2/20 0.35
GFER P55789 1/20 0.35
GAA P10253 2/20 0.35
GPR88 Q9GZN0 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL11896028 0.88 AHCY (0.53) AHCYALDH1A1NAMPTGFERGAA
SCHEMBL11903764 0.85 AHCY (0.65) AHCY
SCHEMBL11903755 0.84 AHCY (0.53) AHCYACKR3
SCHEMBL1197505 0.81 AHCY (0.51) AHCYNAMPT
SCHEMBL11974060 0.81 AHCY (0.49) AHCYALDH1A1NAMPTGFERGAA
SCHEMBL11895664 0.81 AHCY (0.50) AHCYNAMPT
Hydrochloric Acid SCHEMBL11896407 0.80 AHCY (0.51) AHCYALDH1A1NAMPTGFERGAA
SCHEMBL12720680 0.80 AHCY (0.49) AHCYALDH1A1NAMPTGFERGAA
SCHEMBL11973976 0.79 AHCY (0.61) AHCYALDH1A1NAMPTGFERGAA
Hydrochloric Acid SCHEMBL11895705 0.78 AHCY (0.63) AHCYALDH1A1NAMPTGFERGAA

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 4108/4885ALDH1A1 180/4885ACKR3 1777/4885

“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.