SCHEMBL1027694

SCHEMBL1027694

Cc1nc(-c2ccc(C)c(N(CC(=O)O)CC(=O)N(C)N3Cc4ccc(C#N)cc4C3)c2)no1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPK14 Q16539 2/20 0.35
S1PR1 P21453 7/20 0.35
S1PR3 Q99500 3/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
EP300 Q09472 1/20 0.33
THRB P10828 1/20 0.32
NAMPT P43490 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
SCHEMBL1026588 0.89 MAPK14 (0.39) MAPK14MAPTLMNATHRB
SCHEMBL1027304 0.87 LMNA (0.40) MAPK14MAPTLMNAHTR1DHTR1B
SCHEMBL11974612 0.87 AHCY (0.36) HCRTR1HCRTR2MAPK14MAPTLMNA
Hydrochloric Acid SCHEMBL11903836 0.86 AHCY (0.37) HCRTR1HCRTR2MAPK14MAPTLMNA
SCHEMBL1025174 0.83 MAPK14 (0.37) MAPK14MAPTLMNAHTR1DHTR1B
SCHEMBL1029163 0.83 AHCY (0.39) MAPK14S1PR1MAPTLMNAHTR1D
SCHEMBL1027906 0.81 MAPK14 (0.35) MAPK14S1PR1MAPTLMNAGRM5
SCHEMBL1028562 0.80 AHCY (0.39) HTR2ANAMPT
SCHEMBL1025454 0.80 PTGDR (0.37) LMNANAMPT
SCHEMBL1028240 0.80 MAPK14 (0.41) MAPK14MAPTLMNATHRB

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 HCRTR1 2899/4885HCRTR2 2620/4885MAPK14 1666/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 HCRTR1 2293/4885HCRTR2 3478/4885MAPK14 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.