SCHEMBL2376376

SCHEMBL2376376

O=C(C(Cc1ccccc1)NCc1ccc(-c2ccccn2)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DPP4 P27487 2/20 0.46
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
METAP1 P53582 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
FAAH O00519 1/20 0.43
DAGLB Q8NCG7 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
EPHX1 P07099 1/20 0.42
CYP2D6 P10635 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL2376370 1.00 POLB (0.51) POLBMEN1KMT2ADPP4KDM4E
SCHEMBL2376236 0.90 TACR1 (0.45) POLBDPP4KDM4ESMN1; SMN2METAP1
SCHEMBL2373519 0.89 KDM2B (0.47) POLBDPP4KDM4ESMN1; SMN2METAP1
SCHEMBL2373508 0.89 KDM2B (0.47) POLBDPP4KDM4ESMN1; SMN2METAP1
SCHEMBL2376445 0.89 DPP4 (0.46) DPP4KDM4ESMN1; SMN2METAP1DPP7
SCHEMBL2376451 0.89 DPP4 (0.46) DPP4KDM4ESMN1; SMN2METAP1DPP7
SCHEMBL2374734 0.87 DPP4 (0.46) DPP4KDM4ESMN1; SMN2METAP1DPP7
SCHEMBL2374722 0.87 DPP4 (0.46) DPP4KDM4ESMN1; SMN2METAP1DPP7
SCHEMBL2376389 0.87 POLB (0.65) POLBMEN1KMT2AFAAH
SCHEMBL2376394 0.87 POLB (0.65) POLBMEN1KMT2AFAAH

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 1882/4885MEN1 2324/4885KMT2A 515/4885

“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.