SCHEMBL23758262

SCHEMBL23758262

COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
XDH P47989 1/20 0.52
GPR35 Q9HC97 1/20 0.52
SNCA P37840 1/20 0.52
PLAU P00749 1/20 0.51
PTGS2 P35354 2/20 0.50
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MPO P05164 1/20 0.48

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
SCHEMBL23758261 0.94 RAB9A (0.61) GSK3BNPC1RAB9AMEN1KMT2A
SCHEMBL23758265 0.90 RAB9A (0.59) GSK3BNPC1RAB9AMEN1KMT2A
SCHEMBL23758257 0.90 KMT2A (0.57) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL23758264 0.89 RAB9A (0.64) GSK3BNPC1RAB9AMEN1KMT2A
SCHEMBL23758263 0.86 ADORA3 (0.55) NPC1RAB9AMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL31679102 0.85 ADORA3 (0.54) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL23758256 0.83 ADORA3 (0.63) GSK3BNPC1RAB9AMEN1KMT2A
SCHEMBL7135272 0.83 PDGFRB (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL26464174 0.83 PDGFRB (0.47) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL2121351 0.81 NPC1 (0.83) GSK3BNPC1RAB9AMEN1KMT2A

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 GSK3B 386/4885NPC1 483/4885RAB9A 2068/4885

“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.