SCHEMBL2374008

SCHEMBL2374008

COC(=O)[C@H](Cn1cccc1)NCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.43
CYP2D6 P10635 2/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
KLKB1 P03952 4/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 1/20 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
SCHEMBL2374019 1.00 CYP26A1 (0.43) CYP26A1CYP2D6EPHX1EPHX2F2
SCHEMBL2373586 0.85 CYP2D6 (0.44) CYP2D6EPHX1EPHX2F2F10
SCHEMBL2373591 0.85 CYP2D6 (0.44) CYP2D6EPHX1EPHX2F2F10
SCHEMBL1124614 0.83 ATM (0.51) CYP2D6EPHX1EPHX2F2F10
SCHEMBL1124616 0.83 ATM (0.51) CYP2D6EPHX1EPHX2F2F10
SCHEMBL2373607 0.81 SIRT2 (0.44) CYP2D6EPHX1EPHX2F2F10
SCHEMBL2375304 0.79 EPHX1 (0.42) CYP2D6EPHX1EPHX2F2F10
SCHEMBL2375597 0.79 SIRT2 (0.42) CYP2D6EPHX1EPHX2F2F10
SCHEMBL2373970 0.78 EPHX1 (0.39) CYP2D6EPHX1EPHX2F2F10
SCHEMBL2373976 0.78 EPHX1 (0.39) CYP2D6EPHX1EPHX2F2F10

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 CYP26A1 2906/4885CYP2D6 1915/4885EPHX1 1866/4885

“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.