SCHEMBL24915982

SCHEMBL24915982

CC(C)C(=O)Nc1n[nH]c(=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SORT1 Q99523 1/20 0.39
NOTUM Q6P988 2/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 3/20 0.34
GLA P06280 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
GSK3A P49840 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
SCHEMBL24916421 0.74 MTNR1A (0.31)
SCHEMBL13024156 0.66 FFAR2 (0.58) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL13827682 0.64 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10SMN1; SMN2KDM4E
SCHEMBL11542523 0.64 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPTSMN1; SMN2GAA
SCHEMBL21853513 0.63 SORT1 (0.38) SORT1NOTUM
SCHEMBL21853512 0.63 SORT1 (0.38) SORT1NOTUM
SCHEMBL24754781 0.62 ALDH1A1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL12777978 0.62 CCNE1 (0.40) ALDH1A1MAPTSMN1; SMN2GAANPC1
SCHEMBL19755675 0.62 KDM4E (0.43) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL3423922 0.62 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2

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 ALDH1A1 3815/4885LMNA 3551/4885HSD17B10 3158/4885

“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.