SCHEMBL4491897

SCHEMBL4491897

Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C=[N+]([O-])O2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PGR P06401 15/20 0.49
AR P10275 5/20 0.44

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
SCHEMBL4471074 0.86 PGR (0.51) PGRAR
SCHEMBL80296 0.72 PGR (0.57) PGRAR
SCHEMBL79962 0.70 PGR (0.60) PGRAR
SCHEMBL80297 0.70 PGR (0.60) PGRAR
SCHEMBL13579113 0.69 PGR (0.77) PGRAR
SCHEMBL79961 0.69 PGR (0.57) PGRAR
SCHEMBL4809621 0.66 PGR (1.00) PGRAR
SCHEMBL5498420 0.66 PGR (0.65) PGRAR
SCHEMBL5436855 0.66 PGR (1.00) PGRAR
SCHEMBL2884729 0.66 PGR (0.62) PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572824-B2 Methods for minimizing thioamide impurities WYETH (US) 2009-08-11 US disclosed
EP-1732922-B1 METHODS FOR MINIMIZING THIOAMIDE IMPURITIES WYETH CORP (US) 2008-10-01 EP disclosed
US-20080071083-A1 Methods for minimizing thioamide impurities WYETH (US) 2008-03-20 US disclosed
US-7314932-B2 Methods for minimizing thioamide impurities WYETH (US) 2008-01-01 US disclosed
US-20050228179-A1 Methods for minimizing thioamide impurities WYETH (US) 2005-10-13 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 (2 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-20050228179-A1 Methods for minimizing thioamide impurities TST, TXN, TTR PGR 3997/4885AR 1924/4885
US-20080071083-A1 Methods for minimizing thioamide impurities TST, TPMT, TXN PGR 4456/4885AR 1841/4885

“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.