SCHEMBL10161341

SCHEMBL10161341

CC(C)(C)n1[nH]c(=O)[nH]c1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.31
GAA P10253 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1833220 0.69 LMNA (0.44)
SCHEMBL11124475 0.69
SCHEMBL29138403 0.65
SCHEMBL5850873 0.64 DAO (0.32) DAO
SCHEMBL20223165 0.63 GAA (0.33) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23400217 0.61 GAA (0.38) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL23401788 0.61 GAA (0.34) GAAALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL18888788 0.60 DAO (0.33) DAOGAAALDH1A1
SCHEMBL109468 0.60 LMNA (0.33)
SCHEMBL10383794 0.60 DAO (0.31) DAO

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
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 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-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 DAO 1885/4885GAA 2216/4885ALDH1A1 2963/4885

“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.