SCHEMBL29923808

SCHEMBL29923808

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
FKBP1A P62942 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
HSD11B1 P28845 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
PMP22 Q01453 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL27172709 0.94 PARP1 (0.33) PARP1FKBP1ASMN1; SMN2DRD2HSD11B1
SCHEMBL29923619 0.94 PARP1 (0.33) PARP1FKBP1ASMN1; SMN2DRD2HSD11B1
SCHEMBL27204876 0.94 PARP1 (0.33) PARP1FKBP1ASMN1; SMN2DRD2HSD11B1
SCHEMBL30053807 0.87 PARP1 (0.34) PARP1FKBP1ASMN1; SMN2DRD2MEN1
SCHEMBL27167396 0.87 PARP1 (0.34) PARP1FKBP1ASMN1; SMN2DRD2MEN1
SCHEMBL24916114 0.84 SMN1; SMN2 (0.36) PARP1FKBP1ASMN1; SMN2MEN1KMT2A
SCHEMBL29923353 0.84 SMN1; SMN2 (0.36) PARP1FKBP1ASMN1; SMN2MEN1KMT2A
SCHEMBL30054324 0.82 MEN1 (0.32) PARP1SMN1; SMN2DRD2MEN1KMT2A
SCHEMBL24915790 0.81 WDR5 (0.45) SMN1; SMN2WDR5
SCHEMBL24915789 0.81 WDR5 (0.45) SMN1; SMN2WDR5

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 PARP1 1578/4885FKBP1A 993/4885SMN1; SMN2 2582/4885

“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.