SCHEMBL784917

SCHEMBL784917

COc1cc(C(=O)N[C@@H]2CCc3ccc(C(=O)N(C)C4CCN(c5ccnc(N(C)C)n5)CC4)cc32)on1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.39
USP30 Q70CQ3 2/20 0.38
BDKRB1 P46663 4/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HPGDS O60760 1/20 0.33
ACACB O00763 1/20 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
SCHEMBL784645 0.86 WDR5 (0.38) WDR5USP30BDKRB1PDE4APDE4B
SCHEMBL785347 0.86 WDR5 (0.40) WDR5USP30BDKRB1PDE4APDE4B
SCHEMBL785318 0.82 POLB (0.40) WDR5ACACB
SCHEMBL784165 0.82 ALDH1A1 (0.41) WDR5JAK2JAK1
SCHEMBL785880 0.82 ALDH1A1 (0.41) WDR5JAK2JAK1
SCHEMBL784592 0.80 WDR5 (0.36) WDR5
SCHEMBL27920407 0.79 CA12 (0.40) WDR5
SCHEMBL784259 0.79 POLB (0.37) WDR5ACACB
SCHEMBL784389 0.78 ALDH1A1 (0.47) BDKRB1
SCHEMBL803740 0.78 PDE4A (0.46) WDR5BDKRB1PDE4APDE4BPDE4C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 WDR5 2611/4885USP30 4164/4885BDKRB1 1/4885

“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.