SCHEMBL23628930

SCHEMBL23628930

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
CYP3A4 P08684 1/20 0.50
KCNH2 Q12809 1/20 0.50
GSK3B P49841 4/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CSNK1D P48730 2/20 0.47
SCD O00767 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTPN1 P18031 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
STAT1 P42224 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SULT1A1 P50225 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL23628893 0.87 CYP3A4 (0.66) MAPTCYP3A4KCNH2GSK3BNPC1
SCHEMBL23629019 0.84 GSK3B (0.55) MAPTGSK3BNPC1RAB9ACSNK1D
SCHEMBL23628959 0.83 GSK3B (0.54) MAPTGSK3BNPC1RAB9ACSNK1D
SCHEMBL23629027 0.81 GSK3B (0.52) MAPTGSK3BNPC1RAB9ACSNK1D
SCHEMBL145671 0.80 NPC1 (0.67) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL30189826 0.80 NPC1 (0.67) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1980717 0.78 PIK3CA (0.66) MAPTNPC1RAB9ASCDMEN1
SCHEMBL16689961 0.76 KMT2A (0.67) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27882017 0.76 MAPT (0.67) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL31550075 0.75 SMN1; SMN2 (0.53) MAPTGSK3BNPC1RAB9AMEN1

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 MAPT 2932/4885CYP3A4 643/4885KCNH2 4232/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B MAPT 2543/4885CYP3A4 587/4885KCNH2 4256/4885

“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.