SCHEMBL23758272

SCHEMBL23758272

COc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 4/20 0.64
RAB9A P51151 3/20 0.64
KDM4E B2RXH2 3/20 0.64
PKM P14618 2/20 0.64
SLC2A1 P11166 1/20 0.57
TP53 P04637 3/20 0.55
HPGD P15428 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
AMY1A P0DUB6 3/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL3337335 0.91 NPC1 (0.60) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL20445326 0.88 SLC2A1 (0.68) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL419326 0.88 NPC1 (0.71) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL9032997 0.87 ALDH1A1 (0.62) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL17393735 0.87 RAB9A (0.65) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3335014 0.86 ALDH1A1 (0.61) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL23758270 0.85 AURKA (0.55) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL465444 0.84 ACHE (0.64) ALDH1A1KDM4ETP53HPGDMEN1
SCHEMBL17255157 0.84 RAB9A (0.56) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL12470638 0.84 NPC1 (0.66) NPC1SMN1; SMN2ALDH1A1RAB9AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US 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 (1 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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPC1 483/4885SMN1; SMN2 228/4885ALDH1A1 2497/4885

“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.