SCHEMBL2374680

SCHEMBL2374680

O=C(C(Cc1ccccc1)NCc1ccc(-c2cccnc2)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ADAM17 P78536 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 3/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL2374673 1.00 POLB (0.51) POLBADAM17MEN1KMT2AF2
SCHEMBL2376389 0.87 POLB (0.65) POLBMEN1KMT2A
SCHEMBL2376394 0.87 POLB (0.65) POLBMEN1KMT2A
SCHEMBL2376370 0.85 POLB (0.51) POLBMEN1KMT2A
SCHEMBL2376376 0.85 POLB (0.51) POLBMEN1KMT2A
SCHEMBL2374598 0.80 CCR1 (0.45) ADAM17ST14
SCHEMBL2374601 0.80 CCR1 (0.45) ADAM17ST14
SCHEMBL2374424 0.79 SMN1; SMN2 (0.55) POLBMEN1KMT2A
SCHEMBL2374433 0.79 SMN1; SMN2 (0.55) POLBMEN1KMT2A
SCHEMBL2375951 0.79 MCHR1 (0.45) MEN1KMT2AF2

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 POLB 1882/4885ADAM17 2908/4885MEN1 2324/4885

“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.