SCHEMBL1027604

SCHEMBL1027604

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.37
HTR1B P28222 5/20 0.37
HTR2A P28223 5/20 0.37
ACKR3 P25106 5/20 0.36
MAPK14 Q16539 2/20 0.35
POLB P06746 1/20 0.35
HDAC4 P56524 1/20 0.33
LMNA P02545 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
NAMPT P43490 2/20 0.33

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 SCHEMBL1029398 0.99 HTR1D (0.36) HTR1DHTR1BHTR2AACKR3MAPK14
SCHEMBL1024361 0.94 MAPK14 (0.37) HTR1DHTR1BHTR2AACKR3MAPK14
Hydrochloric Acid SCHEMBL1027402 0.93 MAPK14 (0.36) HTR1DHTR1BHTR2AACKR3MAPK14
Hydrochloric Acid SCHEMBL1027380 0.91 ACKR3 (0.38) HTR1DHTR1BHTR2AACKR3MAPK14
Hydrochloric Acid SCHEMBL1026597 0.91 ACKR3 (0.36) HTR1DHTR1BHTR2AACKR3MAPK14
SCHEMBL1024001 0.90 HTR1D (0.36) HTR1DHTR1BHTR2AACKR3MAPK14
Hydrochloric Acid SCHEMBL1029576 0.90 AHCY (0.37) HTR1DHTR1BHTR2AACKR3MAPK14
Hydrochloric Acid SCHEMBL1027501 0.89 ACKR3 (0.35) HTR1DHTR1BHTR2AACKR3MAPK14
SCHEMBL1027365 0.87 LMNA (0.35) HTR1DHTR1BHTR2AACKR3MAPK14
Hydrochloric Acid SCHEMBL1026435 0.86 LMNA (0.35) HTR1DHTR1BHTR2AACKR3MAPK14

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 HTR1D 4312/4885HTR1B 3624/4885HTR2A 3335/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 HTR1D 1473/4885HTR1B 1122/4885HTR2A 2003/4885

“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.