SCHEMBL14617677

SCHEMBL14617677

COc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(C)nc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPIB P23284 4/20 0.82
PPID Q08752 14/20 0.75
PPIG Q13427 6/20 0.75
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
FAP Q12884 2/20 0.43
ROCK2 O75116 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2034766 0.90 PPIB (1.00) PPIBPPIDPPIGHSP90AA1HSP90AB1
SCHEMBL2039766 0.85 PPID (1.00) PPIBPPIDPPIG
SCHEMBL2035376 0.83 PPID (0.94) PPIBPPIDPPIG
SCHEMBL19882167 0.82 PPID (0.77) PPIBPPIDPPIGHSP90AA1HSP90AB1
SCHEMBL2043239 0.79 PPID (0.83) PPIBPPIDPPIG
SCHEMBL19882148 0.78 PPID (0.68) PPIBPPIDPPIGMEN1KMT2A
SCHEMBL2040168 0.74 PPID (0.79) PPIBPPIDPPIG
SCHEMBL2042889 0.74 PPID (0.77) PPIBPPIDPPIG
SCHEMBL19882156 0.74 PPID (0.64) PPIBPPIDPPIG
SCHEMBL28056208 0.73 PPID (0.81) PPIBPPIDPPIG

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-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 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-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPIB 51/4885PPID 73/4885PPIG 28/4885

“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.