SCHEMBL23628977

SCHEMBL23628977

COC(=O)c1ccc([N+](=O)[O-])c(OCCN2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 1/20 0.53
CHEK1 O14757 1/20 0.51
PPARG P37231 1/20 0.49
AR P10275 1/20 0.49
PELP1 Q8IZL8 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL23325984 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3930162 0.83 SMN1; SMN2 (0.65) ALDH1A1KDM4ESMN1; SMN2CYP2D6GAA
SCHEMBL23195583 0.83 SMN1; SMN2 (0.65) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL23629034 0.82 SMN1; SMN2 (0.57) ALDH1A1KDM4ESMN1; SMN2CYP2D6GAA
SCHEMBL3893008 0.82 POLB (0.59) ALDH1A1KDM4ESMN1; SMN2CYP2D6GAA
SCHEMBL29567519 0.82 CYP2D6 (0.65) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL28748593 0.82 CYP2D6 (0.65) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL7445354 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7447159 0.81 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL31615674 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 ALDH1A1 3249/4885KDM4E 1591/4885SMN1; SMN2 4589/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B ALDH1A1 3339/4885KDM4E 1449/4885SMN1; SMN2 4529/4885

“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.