SCHEMBL23628893

SCHEMBL23628893

COc1ccc(COC(=O)c2ccc3nc(N)sc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.66
KCNH2 Q12809 2/20 0.66
CYP2C9 P11712 3/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GSK3B P49841 1/20 0.48
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL23628930 0.87 MAPT (0.55) CYP3A4KCNH2MAPTNPC1RAB9A
SCHEMBL21186386 0.86 CYP2D6 (0.63) CYP3A4KCNH2CYP2C9CYP1A2CYP2C19
SCHEMBL23629019 0.83 GSK3B (0.55) MAPTNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL23628959 0.82 GSK3B (0.54) MAPTNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL73574 0.80 RAB9A (0.65) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL23629027 0.80 GSK3B (0.52) MAPTNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL9722788 0.80 CYP2C9 (0.60) CYP3A4KCNH2CYP2C9CYP1A2CYP2C19
SCHEMBL212263 0.79 CYP2C9 (0.71) CYP3A4KCNH2CYP2C9CYP1A2CYP2C19
SCHEMBL9722808 0.79 NPC1 (0.55) CYP3A4KCNH2CYP2C9CYP1A2CYP2C19
SCHEMBL9722853 0.78 NPC1 (0.57) CYP3A4KCNH2CYP2C9CYP1A2CYP2C19

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 CYP3A4 643/4885KCNH2 4232/4885CYP2C9 564/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B CYP3A4 587/4885KCNH2 4256/4885CYP2C9 391/4885

“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.