SCHEMBL1027188

SCHEMBL1027188

CCNCCN(CC(=O)N(C)N1Cc2ccc(OC)cc2C1)C(=O)CNc1cc(-c2noc(C)n2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
HTR1D P28221 4/20 0.36
HTR1B P28222 4/20 0.36
HTR2A P28223 4/20 0.36
DRD3 P35462 2/20 0.36
MAPK14 Q16539 2/20 0.34
THRB P10828 1/20 0.34
AHCY P23526 1/20 0.33
DRD2 P14416 1/20 0.33
TNF P01375 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 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
Hydrochloric Acid SCHEMBL1024154 0.99 MAPT (0.38) MAPTLMNAHTR1DHTR1BHTR2A
SCHEMBL1029108 0.92 POLB (0.37) MAPTLMNAHTR1DHTR1BHTR2A
SCHEMBL1027375 0.91 LMNA (0.38) MAPTLMNAHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1026365 0.91 POLB (0.37) MAPTLMNAHTR1DHTR1BHTR2A
SCHEMBL1027665 0.91 MAPK14 (0.37) LMNAHTR1DHTR1BHTR2AMAPK14
Hydrochloric Acid SCHEMBL1027545 0.91 LMNA (0.38) MAPTLMNAHTR1DHTR1BHTR2A
SCHEMBL1028674 0.90 LMNA (0.36) MAPTLMNAHTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1026989 0.90 AHCY (0.37) LMNAHTR1DHTR1BHTR2AMAPK14
Hydrochloric Acid SCHEMBL1025264 0.90 LMNA (0.35) MAPTLMNAHTR1DHTR1BHTR2A
SCHEMBL1027466 0.88 MAPT (0.38) MAPTLMNAHTR1DHTR1BHTR2A

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 10 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 claimed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP claimed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US claimed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US claimed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP claimed
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 MAPT 230/4885LMNA 3028/4885HTR1D 4312/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MAPT 1767/4885LMNA 2551/4885HTR1D 1473/4885

“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.