SCHEMBL2373607

SCHEMBL2373607

COC(=O)C(Cc1ccn(C)n1)NCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.44
HDAC6 Q9UBN7 5/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
EPHX1 P07099 1/20 0.40
CYP2D6 P10635 1/20 0.40
EPHX2 P34913 1/20 0.40
PIN1 Q13526 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
GPR142 Q7Z601 2/20 0.39

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
SCHEMBL2375909 0.85 GPR142 (0.47) SIRT2HDAC1GPR142
SCHEMBL1124614 0.83 ATM (0.51) SIRT2HDAC6HDAC1EPHX1CYP2D6
SCHEMBL1124616 0.83 ATM (0.51) SIRT2HDAC6HDAC1EPHX1CYP2D6
SCHEMBL2375597 0.82 SIRT2 (0.42) SIRT2HDAC1EPHX1CYP2D6EPHX2
SCHEMBL2375304 0.81 EPHX1 (0.42) SIRT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL2373586 0.81 CYP2D6 (0.44) EPHX1CYP2D6EPHX2F2F10
SCHEMBL2373591 0.81 CYP2D6 (0.44) EPHX1CYP2D6EPHX2F2F10
SCHEMBL2374019 0.81 CYP26A1 (0.43) SIRT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL2374008 0.81 CYP26A1 (0.43) SIRT2HDAC6HDAC1HDAC3HDAC4
SCHEMBL2373976 0.74 EPHX1 (0.39) SIRT2EPHX1CYP2D6EPHX2F2

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 SIRT2 119/4885HDAC6 3/4885HDAC1 65/4885

“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.