SCHEMBL1026802

SCHEMBL1026802

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.40
HSD17B3 P37058 1/20 0.37
OPRK1 P41145 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRM1 P35372 2/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
AKR1C3 P42330 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NLRP3 Q96P20 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1024145 0.91 AHCY (0.40) AHCYMEN1KMT2AALDH1A1KDM4E
SCHEMBL1028635 0.89 DPP9 (0.39) AHCYNAMPT
SCHEMBL1026543 0.88 AHCY (0.42) AHCYMEN1KMT2AALDH1A1KDM4E
SCHEMBL1028593 0.86 AHCY (0.39) AHCYHSD17B3OPRK1ALDH1A1DRD2
SCHEMBL1026774 0.85 AHCY (0.39) AHCYALDH1A1DRD2
Hydrochloric Acid SCHEMBL1026640 0.85 AHCY (0.42) AHCYOPRK1OPRM1ALDH1A1AKR1C3
SCHEMBL1026487 0.85 AHCY (0.53) AHCYMEN1KMT2ATDP1
SCHEMBL1025998 0.85 AHCY (0.41) AHCYHSD17B3MEN1KMT2AALDH1A1
SCHEMBL1026661 0.84 AHCY (0.42) AHCYMEN1KMT2AOPRM1ALDH1A1
Hydrochloric Acid SCHEMBL1026614 0.84 AHCY (0.43) AHCYOPRK1OPRM1NAMPT

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 4108/4885HSD17B3 2038/4885OPRK1 4421/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885HSD17B3 297/4885OPRK1 4716/4885

“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.