SCHEMBL2375909

SCHEMBL2375909

COC(=O)C(Cc1ccn(C)n1)NCc1ccc(-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 6/20 0.47
SIRT2 Q8IXJ6 5/20 0.41
NOX1 Q9Y5S8 1/20 0.41
PPID Q08752 1/20 0.40
HDAC1 Q13547 1/20 0.37
CYP26A1 O43174 1/20 0.36
CLK1 P49759 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL2373607 0.85 SIRT2 (0.44) GPR142SIRT2HDAC1
SCHEMBL2374193 0.80 PPID (0.42) GPR142SIRT2PPIDHDAC1CLK1
SCHEMBL2376148 0.79 PPID (0.41) GPR142SIRT2PPIDHDAC1CLK1
SCHEMBL2374570 0.79 PPID (0.48) GPR142PPIDHDAC1CLK1MAPK8
SCHEMBL2374561 0.79 PPID (0.48) GPR142PPIDHDAC1CLK1MAPK8
SCHEMBL2374062 0.71 PPID (0.44) GPR142SIRT2PPIDHDAC1CLK1
SCHEMBL2374058 0.71 PPID (0.44) GPR142SIRT2PPIDHDAC1CLK1
SCHEMBL2374130 0.71 PPID (0.47) GPR142PPIDHDAC1CYP26A1ROCK2
SCHEMBL2373510 0.70 PPID (0.50) GPR142PPIDHDAC1CYP26A1ROCK2
SCHEMBL1124524 0.69 ALDH1A1 (0.38)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US 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 (1 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 GPR142 3414/4885SIRT2 119/4885NOX1 2431/4885

“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.