SCHEMBL23628964

SCHEMBL23628964

COC(=O)c1ccc(COc2cc(C(=O)OC)cc3sc(N)nc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.66
KCNH2 Q12809 1/20 0.66
CYP2C9 P11712 3/20 0.54
CYP1A2 P05177 2/20 0.51
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.44
NPC1 O15118 3/20 0.44
CTSK P43235 1/20 0.43
TP53 P04637 1/20 0.43
DHFR P00374 1/20 0.43
MEN1 O00255 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
TOP2A P11388 1/20 0.42

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
SCHEMBL23628929 0.92 CYP3A4 (0.56) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL23629028 0.88 CYP3A4 (0.52) CYP3A4KCNH2CYP2C9SMN1; SMN2CYP2C19
SCHEMBL23628989 0.87 CYP3A4 (0.51) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL23629021 0.85 MRGPRX4 (0.53) CYP3A4KCNH2CYP2C9MAPTCYP2C19
SCHEMBL11700360 0.84 CYP3A4 (0.48) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL23628920 0.83 CYP3A4 (0.46) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL23629056 0.82 CYP3A4 (0.52) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL642545 0.81 CYP3A4 (0.50) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL21195471 0.81 CYP3A4 (0.45) CYP3A4KCNH2CYP2C9CYP1A2MAPT
SCHEMBL23628947 0.80 TOP2A (0.55) CYP3A4KCNH2CYP2C9CYP2C19KMT2A

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.