SCHEMBL2374540

SCHEMBL2374540

COC(=O)[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
POLB P06746 2/20 0.47
GFER P55789 1/20 0.47
AOC3 Q16853 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CDK2 P24941 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
CNR2 P34972 1/20 0.44
DGAT1 O75907 3/20 0.44
CYP1A2 P05177 1/20 0.43
SMO Q99835 1/20 0.43
WNT3A P56704 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 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
SCHEMBL2374551 1.00 PARP1 (0.47) PARP1POLBGFERAOC3SIRT2
SCHEMBL2375727 0.85 POLB (0.57) POLBGFERPIK3CAPIK3CBKDM4E
SCHEMBL2375734 0.85 POLB (0.57) POLBGFERPIK3CAPIK3CBKDM4E
SCHEMBL23279546 0.77 KDM4E (0.45) PARP1POLBAOC3PIK3CAPIK3CB
SCHEMBL23279498 0.76 KDM4E (0.47) PARP1POLBAOC3KDM4ECNR2
SCHEMBL7724405 0.76 ATM (0.51) POLBSIRT2RAB9AATM
SCHEMBL18248176 0.75 MEN1 (0.47) PARP1POLBAOC3KDM4ECNR2
SCHEMBL3959739 0.75 ATM (0.68) POLBRAB9AKMT2AATM
SCHEMBL2375644 0.75 ATM (0.68) POLBRAB9AKMT2AATM
SCHEMBL2375646 0.75 ATM (0.68) POLBRAB9AKMT2AATM

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 PARP1 446/4885POLB 1882/4885GFER 2929/4885

“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.