SCHEMBL2336717

SCHEMBL2336717

COCCN(C)C(=O)C(Cc1ccccc1)N(Cc1ccc(-c2cccnc2)cc1)C(=O)C=Cc1ccc(OC)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PSMB5 P28074 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
PPARG P37231 1/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL2336709 1.00 HTR5A (0.44) HTR5AKDM4EALDH1A1PSMB5MEN1
SCHEMBL2336714 1.00 HTR5A (0.44) HTR5AKDM4EALDH1A1PSMB5MEN1
SCHEMBL2364092 0.95 HTR5A (0.42) HTR5AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2364093 0.95 HTR5A (0.42) HTR5AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2364095 0.95 HTR5A (0.42) HTR5AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2376271 0.91 HTR5A (0.44) HTR5AKDM4EALDH1A1PSMB5MEN1
SCHEMBL2376261 0.91 HTR5A (0.44) HTR5AKDM4EALDH1A1PSMB5MEN1
SCHEMBL2376264 0.91 HTR5A (0.44) HTR5AKDM4EALDH1A1PSMB5MEN1
SCHEMBL2376030 0.89 TRPM8 (0.40) HTR5AKDM4EALDH1A1MEN1KMT2A
SCHEMBL2376027 0.89 TRPM8 (0.40) HTR5AKDM4EALDH1A1MEN1KMT2A

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
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US disclosed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP disclosed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO 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 4420/4885KDM4E 1004/4885ALDH1A1 3251/4885

“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.