SCHEMBL23758261

SCHEMBL23758261

COc1ccc(C(=O)Nc2ccc(-c3c[nH]c(-c4ccc(OC)cc4)n3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
XDH P47989 1/20 0.57
GPR35 Q9HC97 1/20 0.57
PLAU P00749 1/20 0.56
SNCA P37840 1/20 0.54
MPO P05164 1/20 0.53
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
GSK3B P49841 1/20 0.52
CASP3 P42574 1/20 0.51

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
SCHEMBL23758265 0.95 RAB9A (0.59) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL23758262 0.94 GSK3B (0.56) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL23758264 0.94 RAB9A (0.64) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL23758256 0.89 ADORA3 (0.63) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL23758259 0.85 ADORA3 (0.69) RAB9ANPC1TP53SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL31679087 0.84 ADORA3 (0.67) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL23758254 0.84 ADORA3 (0.64) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL23758257 0.84 KMT2A (0.57) RAB9ANPC1TP53SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL31679105 0.83 ADORA3 (0.63) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL23758260 0.82 PTPN1 (0.58) SMN1; SMN2KMT2AMEN1POLB

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 RAB9A 2068/4885NPC1 483/4885TP53 4250/4885

“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.