SCHEMBL784462

SCHEMBL784462

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cccnc1C(F)(F)F)CC2)C1CCN(c2ccnnc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.35
CTSS P25774 1/20 0.35
SMO Q99835 2/20 0.35
NPY5R Q15761 1/20 0.34
ACKR3 P25106 3/20 0.33
PDK2 Q15119 1/20 0.33
PDE2A O00408 1/20 0.33
KLKB1 P03952 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.33
POLB P06746 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL785107 0.92 WDR5 (0.37) WDR5CTSSSMOACKR3PDK2
SCHEMBL784800 0.90 WDR5 (0.40) WDR5CTSSSMOACKR3PDK2
SCHEMBL785902 0.89 CTSS (0.36) WDR5CTSSSMOACKR3PDK2
SCHEMBL785365 0.87 ALDH1A1 (0.42) WDR5CTSSPDE2AMEN1KMT2A
SCHEMBL785531 0.85 WDR5 (0.38) WDR5SMOKLKB1PDE10A
SCHEMBL784592 0.85 WDR5 (0.36) WDR5SMOACKR3PDE2AKLKB1
SCHEMBL785366 0.84 WDR5 (0.38) WDR5SMOACKR3KLKB1PDE10A
SCHEMBL785506 0.84 TAF1 (0.38) WDR5SMOACKR3PDE2AKLKB1
SCHEMBL784457 0.84 WDR5 (0.36) WDR5SMOACKR3PDE2AKLKB1
SCHEMBL785488 0.83 GBA1 (0.38) WDR5SMOPDE2AKLKB1

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 2611/4885CTSS 824/4885SMO 4034/4885

“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.