SCHEMBL2374076

SCHEMBL2374076

Cn1cc(CC(C(=O)O)N(Cc2ccc(-c3ccncc3)cc2)C(=O)C=Cc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PLA2G7 Q13093 5/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
MMP1 P03956 1/20 0.37
HTR5A P47898 2/20 0.36
HDAC3 O15379 1/20 0.36
ADAM17 P78536 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL2374073 1.00 PPARG (0.39) PPARGPPARDPPARAPLA2G7CYP3A4
SCHEMBL2374123 0.91 NOS3 (0.44) PPARGPPARDPPARAPLA2G7CYP3A4
SCHEMBL2374128 0.91 NOS3 (0.44) PPARGPPARDPPARAPLA2G7CYP3A4
SCHEMBL2374011 0.91 ESR1 (0.37) PPARGPPARDPPARAPLA2G7CYP3A4
SCHEMBL2374005 0.91 ESR1 (0.37) PPARGPPARDPPARAPLA2G7CYP3A4
SCHEMBL2373947 0.86 HTR5A (0.38) PPARGPPARDPPARAPLA2G7CYP3A4
SCHEMBL2336307 0.86 HTR5A (0.38) PPARGPPARDPPARAPLA2G7CYP3A4
SCHEMBL2376457 0.85 PPARD (0.38) PPARGPPARDPPARANOS3NOS1
SCHEMBL2376461 0.85 PPARD (0.38) PPARGPPARDPPARANOS3NOS1
SCHEMBL2375842 0.85 PPARD (0.39) PPARGPPARDPPARANOS3NOS1

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

“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.