SCHEMBL2373317

SCHEMBL2373317

COC(=O)C(Cc1ccnn1C)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.42
NOS1 P29475 4/20 0.42
NOS2 P35228 4/20 0.42
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
UGT1A1 P22309 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
SLCO2B1 O94956 1/20 0.35
ABCB11 O95342 1/20 0.35
ABCB1 P08183 1/20 0.35
CCKAR P32238 1/20 0.35
OPRK1 P41145 1/20 0.35
GHSR Q92847 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34

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
SCHEMBL2373320 1.00 NOS3 (0.42) NOS3NOS1NOS2TRPM8TRPV1
SCHEMBL2374042 0.92 TRPM8 (0.37) NOS3NOS1NOS2TRPM8TRPV1
SCHEMBL2374046 0.92 TRPM8 (0.37) NOS3NOS1NOS2TRPM8TRPV1
SCHEMBL2373669 0.91 NOS3 (0.45) NOS3NOS1NOS2PPARGHTR5A
SCHEMBL2373673 0.91 NOS3 (0.45) NOS3NOS1NOS2PPARGHTR5A
SCHEMBL1124428 0.89 NOS3 (0.51) NOS3NOS1NOS2TRPM8TRPV1
SCHEMBL1124430 0.89 NOS3 (0.51) NOS3NOS1NOS2TRPM8TRPV1
SCHEMBL1124433 0.89 NOS3 (0.51) NOS3NOS1NOS2TRPM8TRPV1
SCHEMBL2374704 0.88 NOS3 (0.42) NOS3NOS1NOS2TRPM8TRPV1
SCHEMBL2375587 0.87 NOS3 (0.44) NOS3NOS1NOS2TRPM8TRPV1

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.