SCHEMBL1024016

SCHEMBL1024016

CCNCCN(CC(=O)N(C)N1Cc2ccccc2C1)C(=O)CNc1cc(-c2ncccn2)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.38
ACKR3 P25106 12/20 0.37
KDM5B Q9UGL1 5/20 0.33
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5C P41229 1/20 0.31
KDM2B Q8NHM5 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
Hydrochloric Acid SCHEMBL1029730 0.99 AHCY (0.39) AHCYACKR3KDM5BKDM6BKDM4A
Hydrochloric Acid SCHEMBL1024789 0.89 ACKR3 (0.38) AHCYACKR3
SCHEMBL1027665 0.88 MAPK14 (0.37) AHCY
Hydrochloric Acid SCHEMBL1026989 0.88 AHCY (0.37) AHCY
SCHEMBL1028692 0.86 AHCY (0.41) AHCYACKR3KDM5BKDM5AKDM5C
Hydrochloric Acid SCHEMBL1024377 0.85 AHCY (0.37) AHCYACKR3
SCHEMBL1027620 0.85 AHCY (0.36) AHCYACKR3
Hydrochloric Acid SCHEMBL1029404 0.85 AHCY (0.37) AHCYACKR3
Hydrochloric Acid SCHEMBL1025594 0.85 HDAC4 (0.41)
Hydrochloric Acid SCHEMBL1028550 0.85 AHCY (0.42) AHCYACKR3KDM5BKDM5AKDM5C

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 AHCY 4108/4885ACKR3 1777/4885KDM5B 3579/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885ACKR3 4604/4885KDM5B 1267/4885

“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.