SCHEMBL23629012

SCHEMBL23629012

CCOC(=O)c1ccc2nc(NC(C)C)sc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.75
SMN1; SMN2 Q16637 11/20 0.75
RAB9A P51151 11/20 0.75
ALDH1A1 P00352 4/20 0.75
STAT1 P42224 1/20 0.72
KDM4E B2RXH2 4/20 0.68
HPGD P15428 4/20 0.68
MAPT P10636 3/20 0.68
GAA P10253 3/20 0.68
ALPL P05186 1/20 0.68
TP53 P04637 2/20 0.62
HSD17B10 Q99714 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
USP2 O75604 1/20 0.61
ACP1 P24666 1/20 0.59
PCSK9 Q8NBP7 2/20 0.57
HTT P42858 2/20 0.57
PIK3CA P42336 1/20 0.54

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
SCHEMBL18585932 0.86 NPC1 (0.77) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL29973978 0.84 NPC1 (0.74) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL6057541 0.84 NPC1 (1.00) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL28878441 0.84 NPC1 (0.74) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL23628959 0.82 GSK3B (0.54) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL23628970 0.82 SMN1; SMN2 (0.54) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL14159072 0.81 NPC1 (0.65) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL4746072 0.81 NPC1 (0.77) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL14808429 0.81 SMN1; SMN2 (0.77) NPC1SMN1; SMN2RAB9AALDH1A1STAT1
SCHEMBL11303998 0.81 NPC1 (0.80) NPC1SMN1; SMN2RAB9AALDH1A1STAT1

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 NPC1 4573/4885SMN1; SMN2 4589/4885RAB9A 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 NPC1 4546/4885SMN1; SMN2 4529/4885RAB9A 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.