SCHEMBL1028455

SCHEMBL1028455

CNC(=O)c1ccc(Cl)c(N(CCNC(C)C)C(=O)CNCC(=O)N(C)N2Cc3ccccc3C2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.34
OPRK1 P41145 2/20 0.34
PIK3CA P42336 3/20 0.33
PIK3CB P42338 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NAMPT P43490 6/20 0.32
NNMT P40261 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRL1 P41146 1/20 0.31
POLB P06746 1/20 0.31
AKR1C3 P42330 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
SCHEMBL1027381 0.91 AHCY (0.34) AHCYOPRK1PIK3CAPIK3CBNAMPT
Hydrochloric Acid SCHEMBL1027831 0.88 AHCY (0.44) AHCYHDAC8TMEM97SIGMAR1POLB
SCHEMBL1025509 0.87 AHCY (0.34) AHCYNNMTPOLB
Hydrochloric Acid SCHEMBL1029811 0.86 AHCY (0.37) AHCYNAMPT
Hydrochloric Acid SCHEMBL1025019 0.84 AHCY (0.35) AHCYPIK3CAPIK3CBTMEM97SIGMAR1
Hydrochloric Acid SCHEMBL1025440 0.83 AHCY (0.42) AHCYHDAC8TMEM97SIGMAR1POLB
Hydrochloric Acid SCHEMBL1028202 0.83 AHCY (0.36) AHCY
SCHEMBL1025802 0.82 AHCY (0.32) AHCYNAMPT
SCHEMBL1028041 0.82 AHCY (0.32) AHCYOPRK1NAMPT
Hydrochloric Acid SCHEMBL1027054 0.81 AHCY (0.33) AHCYOPRK1NAMPT

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 4108/4885OPRK1 4421/4885PIK3CA 3432/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885OPRK1 4716/4885PIK3CA 3844/4885

“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.