SCHEMBL2332684

SCHEMBL2332684

COCCN(C)C(=O)C(Cc1ccccc1)N(Cc1ccc(-c2cncnc2)cc1)C(=O)C=Cc1ccc(Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.36
MME P08473 1/20 0.35
PLAU P00749 1/20 0.35
GHSR Q92847 1/20 0.34
PPARG P37231 1/20 0.34
ADAMTS5 Q9UNA0 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
F10 P00742 1/20 0.33
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
PRKD3 O94806 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL2332680 1.00 HTR5A (0.36) HTR5AMMEPLAUGHSRPPARG
SCHEMBL2332675 1.00 HTR5A (0.36) HTR5AMMEPLAUGHSRPPARG
SCHEMBL2373753 0.89 HTR5A (0.39) HTR5AMMEGHSRPPARGALDH1A1
SCHEMBL2373755 0.89 HTR5A (0.39) HTR5AMMEGHSRPPARGALDH1A1
SCHEMBL2373758 0.89 HTR5A (0.39) HTR5AMMEGHSRPPARGALDH1A1
SCHEMBL2373991 0.88 HTR5A (0.39) HTR5AMMEGHSRPPARGALDH1A1
SCHEMBL2373985 0.88 HTR5A (0.39) HTR5AMMEGHSRPPARGALDH1A1
SCHEMBL2373987 0.88 HTR5A (0.39) HTR5AMMEGHSRPPARGALDH1A1
SCHEMBL2332322 0.86 HTR5A (0.40) HTR5AMMEGHSRPPARGALDH1A1
SCHEMBL2332315 0.86 HTR5A (0.40) HTR5AMMEGHSRPPARGALDH1A1

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 4 patents. 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 claimed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP claimed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO claimed
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 HTR5A 4420/4885MME 1117/4885PLAU 4068/4885

“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.