SCHEMBL2376457

SCHEMBL2376457

Cn1nccc1CC(C(=O)O)N(Cc1ccc(-c2ccncc2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
MMP1 P03956 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTR5A P47898 3/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1B P35368 1/20 0.35
DRD3 P35462 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
SCHEMBL2376461 1.00 PPARD (0.38) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2373669 0.91 NOS3 (0.45) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2373673 0.91 NOS3 (0.45) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2374042 0.91 TRPM8 (0.37) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2374046 0.91 TRPM8 (0.37) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2374076 0.85 PPARG (0.39) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2374073 0.85 PPARG (0.39) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2375842 0.84 PPARD (0.39) PPARDPPARAPPARGNOS3NOS1
SCHEMBL2375844 0.84 PPARD (0.39) PPARDPPARAPPARGNOS3NOS1
SCHEMBL1358218 0.84 HPGD (0.40) NOS3NOS1NOS2MAOAMAOB

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 PPARD 1178/4885PPARA 857/4885PPARG 1076/4885

“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.