SCHEMBL1024361

SCHEMBL1024361

Cc1nc(-c2ccc(C)c(NCC(=O)N(CCNC(C)C)CC(=O)N(C)N3Cc4ccccc4C3)c2)no1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
ACKR3 P25106 4/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
KIT P10721 3/20 0.35
LMNA P02545 1/20 0.34

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 SCHEMBL1027402 0.99 MAPK14 (0.36) MAPK14ACKR3HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1027501 0.94 ACKR3 (0.35) MAPK14ACKR3HTR1DHTR1BHTR2A
SCHEMBL1027604 0.94 HTR1D (0.37) MAPK14ACKR3HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1029398 0.93 HTR1D (0.36) MAPK14ACKR3HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1027380 0.93 ACKR3 (0.38) MAPK14ACKR3HTR1DHTR1BHTR2A
SCHEMBL1027365 0.92 LMNA (0.35) MAPK14ACKR3HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1026597 0.92 ACKR3 (0.36) MAPK14ACKR3HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL1026435 0.92 LMNA (0.35) MAPK14ACKR3HTR1DHTR1BHTR2A
SCHEMBL1027375 0.91 LMNA (0.38) MAPK14HTR1DHTR1BHTR2ALMNA
Hydrochloric Acid SCHEMBL1027545 0.90 LMNA (0.38) MAPK14HTR1DHTR1BHTR2ALMNA

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 9 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-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 MAPK14 1666/4885ACKR3 1777/4885HTR1D 4312/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MAPK14 2008/4885ACKR3 4604/4885HTR1D 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.