SCHEMBL1027761

SCHEMBL1027761

Cc1cnc(-c2ccc(C)c(N(CC(=O)O)CC(=O)N(C)N3Cc4ccccc4C3)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HDAC4 P56524 1/20 0.35
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
STS P08842 1/20 0.31
DYRK1A Q13627 1/20 0.31
CTSA P10619 1/20 0.31
RIPK2 O43353 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.30
SLC6A9 P48067 2/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
BACE1 P56817 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
SCHEMBL1028972 0.86 AHCY (0.36) AHCYDYRK1A
SCHEMBL11975570 0.85 AHCY (0.44) AHCYHSD17B1HSD17B2HDAC4PKM
SCHEMBL1027792 0.84 AHCY (0.40) AHCYSLC6A9HCRTR1HCRTR2
SCHEMBL1026836 0.84 TACR3 (0.40) AHCYHSD17B1HSD17B2RAB9ASMN1; SMN2
SCHEMBL1026985 0.83 HDAC4 (0.40) HSD17B1HSD17B2HDAC4CTSA
SCHEMBL1025570 0.83 AHCY (0.38) AHCYSLC6A9
SCHEMBL1028388 0.82 ALDH1A1 (0.38) AHCYPKMRAB9ASMN1; SMN2HCRTR1
SCHEMBL1025826 0.82 AHCY (0.38) AHCYSLC6A9
SCHEMBL1028833 0.82 MKNK1 (0.38) AHCYDYRK1ACTSA
SCHEMBL1026250 0.81 CNR1 (0.40) AHCYHSD17B1HSD17B2RAB9ASMN1; SMN2

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 2190/4885HSD17B2 2264/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885HSD17B1 155/4885HSD17B2 372/4885

“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.