SCHEMBL24915548

SCHEMBL24915548

COc1ccc2c(c1)c(C(C)C)nn2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR3A P46098 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
CASR P41180 1/20 0.40
HASPIN Q8TF76 1/20 0.40
GAA P10253 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL905833 0.81 HSD17B10 (0.40) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL12120792 0.78 MAPK8 (0.38) KDM4EMAPTALDH1A1HTTMEN1
SCHEMBL12123801 0.78 MAPK8 (0.38) KDM4EHSD17B10MAPTMEN1KMT2A
SCHEMBL13202490 0.78 ADORA2A (0.55) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL13899583 0.77 ALDH1A1 (0.47) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL3383298 0.77 MAPK8 (0.37) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL17229807 0.77 MAPK8 (0.40) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL24392127 0.77 PDE10A (0.41)
SCHEMBL14737989 0.77 ALDH1A1 (0.47) KDM4EHSD17B10MAPTALDH1A1HPGD
SCHEMBL29923672 0.77 ALDH1A1 (0.47) KDM4EHSD17B10MAPTALDH1A1HPGD

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 KDM4E 105/4885HSD17B10 3158/4885MAPT 1413/4885

“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.