SCHEMBL2374575

SCHEMBL2374575

COC(=O)[C@@H](CCl)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.43
NOS1 P29475 4/20 0.43
NOS2 P35228 4/20 0.43
TRPV1 Q8NER1 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
HDAC1 Q13547 1/20 0.38
HTR5A P47898 2/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 4/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2374579 1.00 NOS3 (0.43) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2374585 1.00 NOS3 (0.43) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2375583 0.93 NOS3 (0.44) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2375587 0.93 NOS3 (0.44) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2375592 0.93 NOS3 (0.44) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL1124428 0.91 NOS3 (0.51) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL1124430 0.91 NOS3 (0.51) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL1124433 0.91 NOS3 (0.51) NOS3NOS1NOS2TRPV1TRPM8
SCHEMBL2375206 0.90 NOS3 (0.46) NOS3NOS1NOS2HDAC1HTR5A
SCHEMBL2375200 0.90 NOS3 (0.46) NOS3NOS1NOS2HDAC1HTR5A

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.