SCHEMBL23628946

SCHEMBL23628946

NC(=O)c1cc(OCc2ccccc2)c2nc(N)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.50
TOP2A P11388 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PARP10 Q53GL7 1/20 0.46
MAP4K4 O95819 1/20 0.45
CYP2D6 P10635 1/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNH2 Q12809 1/20 0.43
PARP1 P09874 1/20 0.43
CYP2C9 P11712 1/20 0.42
PLK1 P53350 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
SCHEMBL23628947 0.92 TOP2A (0.55) CYP3A4CYP2C19TOP2AMAP4K4CYP2D6
SCHEMBL23628929 0.87 CYP3A4 (0.56) CYP3A4CYP2C19TOP2AMAP4K4CYP2D6
SCHEMBL23629003 0.82 CYP2C19 (0.55) CYP3A4CYP2C19TOP2ACYP2D6SMPD1
SCHEMBL21395966 0.80 CYP3A4 (0.52) CYP3A4CYP2C19TOP2AMAP4K4KCNH2
SCHEMBL23628964 0.79 CYP3A4 (0.66) CYP3A4CYP2C19TOP2AKCNH2CYP2C9
SCHEMBL23629028 0.79 CYP3A4 (0.52) CYP3A4CYP2C19KCNH2CYP2C9
SCHEMBL19783575 0.78 CYP3A4 (0.60) CYP3A4CYP2C19KCNH2
SCHEMBL30189770 0.78 CYP3A4 (0.60) CYP3A4CYP2C19KCNH2
SCHEMBL23628943 0.77 CYP3A4 (0.53) CYP3A4
SCHEMBL23629021 0.76 MRGPRX4 (0.53) CYP3A4CYP2C19PARP10KCNH2CYP2C9

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 643/4885CYP2C19 426/4885TOP2A 2/4885
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 587/4885CYP2C19 352/4885TOP2A 2/4885

“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.