SCHEMBL29923353

SCHEMBL29923353

COC(=O)c1cc(O)c2c(c1)C(=O)N([C@H]1CCCc3ncc(OC)cc31)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
PARP1 P09874 3/20 0.35
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
PMP22 Q01453 1/20 0.34
GABRA6 Q16445 1/20 0.34
TNKS O95271 3/20 0.33
TNKS2 Q9H2K2 3/20 0.33
PARP2 Q9UGN5 2/20 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
SCHEMBL24916114 1.00 SMN1; SMN2 (0.36) SMN1; SMN2PARP1HSD17B10MEN1CYP1A2
SCHEMBL29923808 0.84 PARP1 (0.33) SMN1; SMN2PARP1HSD17B10MEN1CYP1A2
SCHEMBL27167376 0.83 SMN1; SMN2 (0.40) SMN1; SMN2PARP1HSD17B10KMT2ALMNA
SCHEMBL30054320 0.83 SMN1; SMN2 (0.40) SMN1; SMN2PARP1HSD17B10KMT2ALMNA
SCHEMBL30134442 0.83 WDR5 (0.45) SMN1; SMN2
SCHEMBL24915790 0.83 WDR5 (0.45) SMN1; SMN2
SCHEMBL24915789 0.83 WDR5 (0.45) SMN1; SMN2
SCHEMBL24915759 0.79 MTNR1B (0.35) SMN1; SMN2PARP1HSD17B10MEN1CYP1A2
SCHEMBL30054607 0.79 SMN1; SMN2 (0.35) SMN1; SMN2PARP1HSD17B10MEN1CYP1A2
SCHEMBL29923619 0.77 PARP1 (0.33) SMN1; SMN2PARP1HSD17B10MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP 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 SMN1; SMN2 2582/4885PARP1 1578/4885HSD17B10 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.