SCHEMBL23628947

SCHEMBL23628947

Nc1nc2c(OCc3ccccc3)cc(C(=O)O)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.55
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.51
MAP4K4 O95819 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A2 P43354 2/20 0.46
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
CYP2C9 P11712 1/20 0.43
P2RY14 Q15391 1/20 0.43
MPO P05164 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTGER1 P34995 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
SCHEMBL23628946 0.92 CYP3A4 (0.51) TOP2ACYP3A4CYP2C19MAP4K4CYP2D6
SCHEMBL23628929 0.89 CYP3A4 (0.56) TOP2ACYP3A4CYP2C19MAP4K4CYP2D6
SCHEMBL23629003 0.83 CYP2C19 (0.55) TOP2ACYP3A4CYP2C19CYP2D6KCNH2
SCHEMBL21395966 0.81 CYP3A4 (0.52) TOP2ACYP3A4CYP2C19MAP4K4KCNH2
SCHEMBL23628964 0.80 CYP3A4 (0.66) TOP2ACYP3A4CYP2C19MEN1KMT2A
SCHEMBL23629028 0.80 CYP3A4 (0.52) CYP3A4CYP2C19KCNH2MRGPRX4CYP2C9
SCHEMBL30189770 0.79 CYP3A4 (0.60) CYP3A4CYP2C19KCNH2MPO
SCHEMBL4124630 0.79 CYP2C19 (0.41) TOP2ACYP2C19CYP2D6CYP2C9
SCHEMBL19783575 0.79 CYP3A4 (0.60) CYP3A4CYP2C19KCNH2MPO
SCHEMBL23628943 0.78 CYP3A4 (0.53) CYP3A4MPO

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 TOP2A 2/4885CYP3A4 643/4885CYP2C19 426/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B TOP2A 2/4885CYP3A4 587/4885CYP2C19 352/4885

“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.