SCHEMBL2375587

SCHEMBL2375587

COC(=O)[C@H](CO)N(Cc1ccc(-c2ccccn2)cc1)C(=O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.44
NOS1 P29475 4/20 0.44
NOS2 P35228 4/20 0.44
TRPV1 Q8NER1 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
HDAC1 Q13547 1/20 0.38
HTR5A P47898 2/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 4/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARD Q03181 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
SCHEMBL2375592 1.00 NOS3 (0.44) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2375583 1.00 NOS3 (0.44) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2374579 0.93 NOS3 (0.43) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2374585 0.93 NOS3 (0.43) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2374575 0.93 NOS3 (0.43) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL1124433 0.92 NOS3 (0.51) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL1124428 0.92 NOS3 (0.51) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL1124430 0.92 NOS3 (0.51) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2375108 0.90 NOS3 (0.42) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2375102 0.90 NOS3 (0.42) NOS3NOS1NOS2TRPV1TRPM8

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 NOS3 783/4885NOS1 996/4885NOS2 548/4885

“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.