SCHEMBL26601680

SCHEMBL26601680

COc1ccc(CSc2cnc(OC)cc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
APLNR P35414 1/20 0.44
APP P05067 1/20 0.43
DAO P14920 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 3/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK1 P28482 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
SCHEMBL31294325 0.86 L3MBTL1 (0.45) TP53APLNRAPPDAOMEN1
SCHEMBL31294263 0.78 APP (0.46) TP53APLNRAPPDAOMEN1
SCHEMBL10687383 0.76 APP (0.58) TP53APPDAOMEN1NPC1
SCHEMBL25216613 0.75 TSHR (0.45) TP53APPDAOMEN1NPC1
SCHEMBL30991727 0.75 TSHR (0.45) TP53APPDAOMEN1NPC1
SCHEMBL5183252 0.72 KMT2A (0.47) TP53KMT2AMAPTTSHRPDGFRB
SCHEMBL23663289 0.72 ABCB1 (0.49) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL29965423 0.72 ABCB1 (0.49) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL29965377 0.71 MAPT (0.39) APPDAOMEN1KMT2ASMN1; SMN2
SCHEMBL5408788 0.71 TP53 (0.48) TP53APPDAOMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO 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-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN1B, CLIC1, HCN1 TP53 4722/4885APLNR 2405/4885APP 4451/4885

“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.