SCHEMBL1027458

SCHEMBL1027458

COc1cc2c(cc1N(CC(=O)O)CC(=O)N(C)N1Cc3ccccc3C1)C(=O)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.42
HSD17B1 P14061 1/20 0.35
MAPK14 Q16539 1/20 0.33
SLC6A9 P48067 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HK1 P19367 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL11973978 0.86 AHCY (0.59) AHCY
SCHEMBL11976186 0.85 AHCY (0.50) AHCY
SCHEMBL1027481 0.84 HSD17B1 (0.43) HSD17B1MAPK14KMT2AMEN1ALDH1A1
SCHEMBL1026908 0.83 AHCY (0.48) AHCYSLC6A9KMT2AMEN1TSHR
SCHEMBL1026571 0.82 AHCY (0.39) AHCYSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1026598 0.76 RXRB (0.45) AHCYKMT2AMEN1CYP1A2CYP2C19
SCHEMBL1026932 0.74 RXRA (0.45) AHCYKMT2AMEN1CYP1A2CYP2C19
SCHEMBL11975715 0.74 AHCY (0.56) AHCYTSHR
SCHEMBL1027483 0.74 KDM4E (0.43) HSD17B1SMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL1030145 0.73 AHCY (0.41) AHCYSLC6A9SMN1; SMN2KMT2AMEN1

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 4108/4885HSD17B1 2190/4885MAPK14 1666/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885HSD17B1 155/4885MAPK14 2008/4885

“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.