SCHEMBL1027792

SCHEMBL1027792

Cc1ccc(-c2ncccn2)cc1N(CC(=O)O)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.40
TDP1 Q9NUW8 1/20 0.34
SLC6A9 P48067 5/20 0.32
TACR3 P29371 2/20 0.32
MAPK14 Q16539 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
AVPR2 P30518 1/20 0.30
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1024804 0.88 AHCY (0.38) AHCYTDP1SLC6A9MEN1KMT2A
SCHEMBL1028403 0.86 AHCY (0.36) AHCYMEN1KMT2A
SCHEMBL1026588 0.86 MAPK14 (0.39) AHCYMAPK14TSHR
SCHEMBL1028833 0.86 MKNK1 (0.38) AHCY
SCHEMBL1025570 0.85 AHCY (0.38) AHCYSLC6A9
SCHEMBL11975615 0.85 AHCY (0.56) AHCY
SCHEMBL1027761 0.84 AHCY (0.36) AHCYSLC6A9HCRTR1HCRTR2
SCHEMBL1025826 0.84 AHCY (0.38) AHCYSLC6A9KDM4E
SCHEMBL1024145 0.84 AHCY (0.40) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL11974053 0.84 AHCY (0.48) AHCYTSHR

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 4108/4885TDP1 4245/4885SLC6A9 1991/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885TDP1 744/4885SLC6A9 423/4885

“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.