SCHEMBL784457

SCHEMBL784457

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccnc1C(F)(F)F)CC2)C1CCN(c2ccnc(C(C)(C)C)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.36
SMO Q99835 2/20 0.34
ACKR3 P25106 2/20 0.34
KLKB1 P03952 3/20 0.33
PDE10A Q9Y233 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
BTK Q06187 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PDE2A O00408 1/20 0.32
CCR2 P41597 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
SCHEMBL784592 0.92 WDR5 (0.36) WDR5SMOACKR3KLKB1PDE10A
SCHEMBL785366 0.91 WDR5 (0.38) WDR5SMOACKR3KLKB1PDE10A
SCHEMBL785498 0.90 PDE4A (0.37) WDR5SMOACKR3KLKB1PDE10A
SCHEMBL785260 0.89 WDR5 (0.35) WDR5SMOACKR3KLKB1PDE10A
SCHEMBL785893 0.89 ALDH1A1 (0.39) WDR5ALDH1A1PDE2A
SCHEMBL785506 0.87 TAF1 (0.38) WDR5SMOACKR3KLKB1ALDH1A1
SCHEMBL785107 0.86 WDR5 (0.37) WDR5SMOACKR3PDE10AALDH1A1
SCHEMBL785488 0.85 GBA1 (0.38) WDR5SMOKLKB1ALDH1A1HCRTR1
SCHEMBL784800 0.85 WDR5 (0.40) WDR5SMOACKR3KLKB1ALDH1A1
SCHEMBL785902 0.84 CTSS (0.36) WDR5SMOACKR3KLKB1PDE10A

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-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-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 2611/4885SMO 4034/4885ACKR3 231/4885

“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.