SCHEMBL24916030

SCHEMBL24916030

COc1cc(COC2CCN(C)CC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.37
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 3/20 0.37
GSK3B P49841 1/20 0.37
ELANE P08246 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
NOS2 P35228 1/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL24916031 0.91 KDM4E (0.36) KDM4EL3MBTL1CYP2D6TSHRMEN1
SCHEMBL24916038 0.89 KDM4E (0.40) KDM4ERAB9AL3MBTL1MAPTCYP2D6
SCHEMBL24915872 0.85 CARM1 (0.37) GSK3BKDM4ERAB9AL3MBTL1HRH4
SCHEMBL24916367 0.83 TLR9 (0.33) TLR9TLR8TLR7GSK3B
SCHEMBL24916357 0.81 MAPT (0.47) KDM4ERAB9AL3MBTL1GAAMAPT
SCHEMBL24916363 0.80 ALDH1A1 (0.39) GSK3BKDM4ERAB9AL3MBTL1GAA
SCHEMBL24916365 0.79 NSD2 (0.39) KDM4ERAB9AL3MBTL1GAAMAPT
SCHEMBL24916006 0.79 TLR9 (0.42) TLR9TLR8TLR7GSK3BELANE
SCHEMBL24916430 0.76 NSD2 (0.39) ELANEKDM4E
SCHEMBL24916107 0.75 KDM4E (0.38) KDM4EL3MBTL1SLC6A4

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 TLR9 4379/4885TLR8 4298/4885TLR7 4346/4885

“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.