SCHEMBL23629028

SCHEMBL23629028

COC(=O)c1cccc(COc2cc(C(=O)OC)cc3sc(N)nc23)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
KCNH2 Q12809 1/20 0.52
MRGPRX4 Q96LA9 7/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
CYP2C9 P11712 1/20 0.44
CCR5 P51681 1/20 0.44
ROCK1 Q13464 1/20 0.44
CYP2C19 P33261 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MPO P05164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC7A5 Q01650 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 0.91 CYP3A4 (0.56) CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL23629021 0.91 MRGPRX4 (0.53) CYP3A4KCNH2MRGPRX4CYP2C9CYP2C19
SCHEMBL23628964 0.88 CYP3A4 (0.66) CYP3A4KCNH2LOXL2CYP2C9CYP2C19
SCHEMBL23628989 0.84 CYP3A4 (0.51) CYP3A4KCNH2CYP2C9CYP2C19NPC1
SCHEMBL23628920 0.82 CYP3A4 (0.46) CYP3A4KCNH2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11700360 0.82 CYP3A4 (0.48) CYP3A4KCNH2CYP2C9CYP2C19NPC1
SCHEMBL23628947 0.80 TOP2A (0.55) CYP3A4KCNH2MRGPRX4CYP2C9CYP2C19
SCHEMBL642545 0.79 CYP3A4 (0.50) CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL23628946 0.79 CYP3A4 (0.51) CYP3A4KCNH2CYP2C9CYP2C19
SCHEMBL21195471 0.78 CYP3A4 (0.45) CYP3A4KCNH2CYP2C9CYP2C19SMN1; 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 CYP3A4 643/4885KCNH2 4232/4885MRGPRX4 3070/4885
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 4256/4885MRGPRX4 3558/4885

“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.