Sugi Predict

Sugi Predict / Compounds / SCHEMBL2332322

SCHEMBL2332322

SCHEMBL2332322

COCCN(C)C(=O)C(Cc1ccccc1)N(Cc1ccc(-c2cncnc2)cc1)C(=O)C=Cc1cnc(OC)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR5A P47898 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MME P08473 1/20 0.36
▸ GHSR Q92847 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PADI4 Q9UM07 1/20 0.34
▸ TRPM8 Q7Z2W7 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ HTR1D P28221 2/20 0.33
▸ HTR1B P28222 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ ADRA1B P35368 2/20 0.33
▸ DRD3 P35462 2/20 0.33

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
SCHEMBL2332315 1.00 HTR5A (0.40) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2332318 1.00 HTR5A (0.40) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2373991 0.89 HTR5A (0.39) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2373985 0.89 HTR5A (0.39) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2373987 0.89 HTR5A (0.39) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2332680 0.86 HTR5A (0.36) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2332675 0.86 HTR5A (0.36) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2332684 0.86 HTR5A (0.36) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2364095 0.85 HTR5A (0.42) HTR5AALDH1A1KDM4EMMEGHSR
SCHEMBL2364092 0.85 HTR5A (0.42) HTR5AALDH1A1KDM4EMMEGHSR

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 6 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
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 4420/4885ALDH1A1 3251/4885KDM4E 1004/4885

“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.