SCHEMBL4907692

SCHEMBL4907692

CCc1cccc(CC)[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
KCNH2 Q12809 10/20 0.37
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CA2 P00918 1/20 0.30

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
SCHEMBL20128354 0.84 TP53 (0.32) TP53KCNH2
SCHEMBL5865099 0.84 GABRA1 (0.38) TP53KCNH2GABRA1GABRB2
SCHEMBL8898003 0.79
SCHEMBL19458253 0.74 KCNH2 (0.54) TP53KCNH2
SCHEMBL3626858 0.72 TRPA1 (0.33)
SCHEMBL29457179 0.72
SCHEMBL696060 0.72
SCHEMBL27898649 0.71 ATM (0.48) TP53
SCHEMBL4736746 0.69
SCHEMBL20128348 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
US-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors ASTRAZENECA AB (SE) 2008-07-24 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-20080176862-A1 Cognitive impairment, Alzheimer disease, neurodegeneration, dementia; such as 3'-(2-amino-4-(2-chloropyridin-4-yl)-1-methyl-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-5-chlorobiphenyl-3-yl methanesulfonate; Beta site APP Cleaving Enzyme (BACE) inhibitors BACE1, BACE2, PSEN1 TP53 1980/4885KCNH2 3091/4885GABRA1 567/4885

“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.