SCHEMBL19998125

SCHEMBL19998125

O=C(NCc1ccccc1)NCc1cccc(-c2cn3c(n2)CCC3)c1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 19/20 0.81
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL19997614 0.92 WDR5 (0.75) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL19991530 0.91 WDR5 (0.80) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL19997596 0.89 WDR5 (1.00) WDR5ALDH1A1
SCHEMBL19997602 0.89 WDR5 (1.00) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL19998129 0.88 WDR5 (0.81) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL19997654 0.87 WDR5 (0.74) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL19997622 0.85 WDR5 (0.66) WDR5
SCHEMBL19997671 0.85 WDR5 (0.71) WDR5ALDH1A1
SCHEMBL19997606 0.85 WDR5 (0.71) WDR5ALDH1A1KDM4ENPC1LMNA
SCHEMBL19997607 0.84 WDR5 (1.00) WDR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086767-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2018-03-29 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-20180086767-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 WDR5 1/4885ALDH1A1 3489/4885KDM4E 101/4885

“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.