SCHEMBL2374174

SCHEMBL2374174

COC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
RORC P51449 1/20 0.38
LMNA P02545 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ESR1 P03372 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2374177 1.00 L3MBTL1 (0.39) L3MBTL1NOS3NOS1NOS2MAPT
SCHEMBL2374180 1.00 L3MBTL1 (0.39) L3MBTL1NOS3NOS1NOS2MAPT
SCHEMBL2374683 0.92 KDM4E (0.41) NOS3NOS1NOS2MAPTSMN1; SMN2
SCHEMBL2374687 0.92 KDM4E (0.41) NOS3NOS1NOS2MAPTSMN1; SMN2
SCHEMBL2374679 0.92 KDM4E (0.41) NOS3NOS1NOS2MAPTSMN1; SMN2
SCHEMBL2339052 0.92 L3MBTL1 (0.41) L3MBTL1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL2339062 0.92 L3MBTL1 (0.41) L3MBTL1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL2339055 0.92 L3MBTL1 (0.41) L3MBTL1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL2375382 0.91 ENPP2 (0.44) MAPTRORCKDM4E
SCHEMBL2375391 0.91 ENPP2 (0.44) MAPTRORCKDM4E

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 L3MBTL1 3413/4885NOS3 783/4885NOS1 996/4885

“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.