SCHEMBL2374683

SCHEMBL2374683

COC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(N2CCOCC2)nc1)C(=O)C=Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPK8 P45983 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
AOC3 Q16853 2/20 0.37
P2RX7 Q99572 1/20 0.37
TLR7 Q9NYK1 1/20 0.35
POLB P06746 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
DGAT1 O75907 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2374687 1.00 KDM4E (0.41) KDM4EMAPK8NOS3NOS1NOS2
SCHEMBL2374679 1.00 KDM4E (0.41) KDM4EMAPK8NOS3NOS1NOS2
SCHEMBL2374512 0.92 NOS3 (0.46) KDM4ENOS3NOS1NOS2AOC3
SCHEMBL2374519 0.92 NOS3 (0.46) KDM4ENOS3NOS1NOS2AOC3
SCHEMBL2374516 0.92 NOS3 (0.46) KDM4ENOS3NOS1NOS2AOC3
SCHEMBL2374180 0.92 L3MBTL1 (0.39) KDM4ENOS3NOS1NOS2P2RX7
SCHEMBL2374177 0.92 L3MBTL1 (0.39) KDM4ENOS3NOS1NOS2P2RX7
SCHEMBL2374174 0.92 L3MBTL1 (0.39) KDM4ENOS3NOS1NOS2P2RX7
SCHEMBL2375433 0.92 KDM4E (0.42) KDM4EMAPK8AOC3TLR7DGAT1
SCHEMBL2375441 0.92 KDM4E (0.42) KDM4EMAPK8AOC3TLR7DGAT1

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 KDM4E 1004/4885MAPK8 2703/4885NOS3 783/4885

“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.