SCHEMBL23628943

SCHEMBL23628943

N#Cc1cc(OCc2ccccc2)c2nc(N)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
MAOB P27338 2/20 0.43
MPO P05164 1/20 0.43
GHSR Q92847 1/20 0.40
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
IKBKE Q14164 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL30189770 0.79 CYP3A4 (0.60) CYP3A4MAOBMPO
SCHEMBL19783575 0.79 CYP3A4 (0.60) CYP3A4MAOBMPO
SCHEMBL21395966 0.78 CYP3A4 (0.52) CYP3A4MAOBMPOMGAMGAA
SCHEMBL23628947 0.78 TOP2A (0.55) CYP3A4MPO
SCHEMBL23628946 0.77 CYP3A4 (0.51) CYP3A4
SCHEMBL23629003 0.77 CYP2C19 (0.55) CYP3A4
SCHEMBL23628929 0.74 CYP3A4 (0.56) CYP3A4
SCHEMBL20305445 0.74 CYP3A4 (0.60) CYP3A4MAOBMGAMGAASI
SCHEMBL19900619 0.73 CYP3A4 (0.43) CYP3A4GAA
SCHEMBL29752153 0.72 CYP3A4 (0.68) CYP3A4MGAMGAASIMGAM2

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 643/4885MAOB 1631/4885MPO 165/4885
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 587/4885MAOB 1415/4885MPO 224/4885

“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.