SCHEMBL1026993

SCHEMBL1026993

CCNCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(C(C)=O)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.39
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NAMPT P43490 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1I3 Q14994 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
OPRM1 P35372 1/20 0.30
CACNA2D1 P54289 1/20 0.30

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 SCHEMBL1025128 0.99 AHCY (0.41) AHCYNPC1RAB9ANAMPTMEN1
SCHEMBL1026096 0.93 AHCY (0.39) AHCYNPC1RAB9ANAMPTMEN1
Hydrochloric Acid SCHEMBL1027656 0.92 AHCY (0.41) AHCYNPC1RAB9ANAMPTMEN1
Hydrochloric Acid SCHEMBL1025294 0.90 NAMPT (0.35) AHCYNAMPT
SCHEMBL1025802 0.89 AHCY (0.32) AHCYNPC1RAB9ANAMPT
Hydrochloric Acid SCHEMBL1026526 0.89 AHCY (0.33) AHCYNPC1RAB9ANAMPT
Hydrochloric Acid SCHEMBL1028317 0.87 AHCY (0.52) AHCYMEN1KMT2AALDH1A1TP53
SCHEMBL1028864 0.86 AHCY (0.38) AHCYNAMPTOPRM1
Hydrochloric Acid SCHEMBL1026677 0.85 AHCY (0.40) AHCYNAMPTOPRM1
SCHEMBL1028398 0.84 NAMPT (0.36) AHCYNAMPT

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 8 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
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
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 4108/4885NPC1 450/4885RAB9A 1221/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NPC1 1230/4885RAB9A 3994/4885

“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.