SCHEMBL23628928

SCHEMBL23628928

COc1ccc(COc2coc(CN)cc2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
RECQL P46063 1/20 0.57
MAOB P27338 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
APP P05067 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41

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
SCHEMBL9976049 0.87 NPC1 (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL103357 0.87 RAB9A (0.76) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9778350 0.87 RAB9A (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL11863320 0.83 LOXL2 (0.57) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9976048 0.83 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL23217240 0.83 NPC1 (0.56) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9778461 0.82 NPC1 (0.54) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9712276 0.81 NPC1 (0.50) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL23228902 0.80 NPC1 (0.50) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9976089 0.80 NPC1 (0.53) NPC1RAB9ACYP1A2CYP2C19RECQL

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 NPC1 4573/4885RAB9A 3897/4885CYP1A2 1600/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B NPC1 4546/4885RAB9A 3924/4885CYP1A2 1524/4885

“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.