SCHEMBL23629019

SCHEMBL23629019

CCNc1nc2ccc(C(=O)OCc3ccc(OC)cc3)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.55
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
STAT1 P42224 1/20 0.54
SCD O00767 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CSNK1D P48730 3/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALPL P05186 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
ABL1 P00519 1/20 0.51
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
PI4KB Q9UBF8 1/20 0.50

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
SCHEMBL23628959 0.87 GSK3B (0.54) GSK3BNPC1RAB9ASMN1; SMN2STAT1
SCHEMBL23629027 0.85 GSK3B (0.52) GSK3BNPC1RAB9ASMN1; SMN2STAT1
SCHEMBL23628930 0.84 MAPT (0.55) GSK3BNPC1RAB9ASMN1; SMN2STAT1
SCHEMBL23628893 0.83 CYP3A4 (0.66) GSK3BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23629015 0.78 NPC1 (0.53) GSK3BNPC1RAB9ASMN1; SMN2STAT1
SCHEMBL2759560 0.78 RAB9A (0.65) NPC1RAB9ASMN1; SMN2SCDMEN1
SCHEMBL1064848 0.76 HDAC1 (0.68) GSK3BNPC1RAB9ASMN1; SMN2SCD
SCHEMBL23628906 0.76 SCD (0.52) GSK3BNPC1RAB9ASMN1; SMN2STAT1
SCHEMBL19921646 0.76 HSD17B10 (0.60) NPC1RAB9ASMN1; SMN2STAT1ALDH1A1
SCHEMBL23628931 0.75 SCD (0.51) GSK3BNPC1RAB9ASMN1; SMN2STAT1

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 GSK3B 500/4885NPC1 4573/4885RAB9A 3897/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B GSK3B 317/4885NPC1 4546/4885RAB9A 3924/4885

“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.