SCHEMBL23628902

SCHEMBL23628902

COC(=O)c1ccc2nc(NC(=O)c3cc(Br)c(Br)[nH]3)sc2c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.64
PIK3CA P42336 1/20 0.63
PIK3CB P42338 1/20 0.63
PIK3CG P48736 1/20 0.63
PI4KB Q9UBF8 1/20 0.63
HTT P42858 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSP90AA1 P07900 1/20 0.58

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
SCHEMBL23628974 0.96 SCD (0.62) SCDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL23628978 0.88 SMN1; SMN2 (0.52) SMN1; SMN2
SCHEMBL23628918 0.88 HSD17B10 (0.56)
SCHEMBL23628888 0.83 SCD (0.64) SCDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL23629049 0.82 MEN1 (0.42) SCDHTT
SCHEMBL23628994 0.81
SCHEMBL14807016 0.81 SCD (0.77) SCDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL23628950 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL23628921 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2
SCHEMBL23628955 0.79 KDM4E (0.46) NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 US disclosed
US-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA UNIVERZA V LJUBLJANI (SI) 2021-10-21 US disclosed
EP-3847172-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA Univerza v Ljubljani (SI) 2021-07-14 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 (2 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-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOP1, TOP2A, TOP2B SCD 3587/4885PIK3CA 271/4885PIK3CB 278/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B SCD 3373/4885PIK3CA 275/4885PIK3CB 314/4885

“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.