SCHEMBL4928004

SCHEMBL4928004

Nc1nccc(-c2ccc(C(=O)NCCc3ccccc3)s2)n1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 12/20 0.73
HDAC1 Q13547 5/20 0.52
RAB9A P51151 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ROCK1 Q13464 2/20 0.48

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
SCHEMBL5000445 0.91 AKT3 (0.65) AKT3HDAC1RAB9A
SCHEMBL5000272 0.89 AKT3 (0.61) AKT3HDAC1RAB9AHDAC6
SCHEMBL5003908 0.89 AKT3 (0.74) AKT3HDAC1RAB9A
SCHEMBL4996971 0.89 AKT3 (0.74) AKT3HDAC1RAB9A
SCHEMBL4919817 0.88 AKT3 (0.57) AKT3HDAC1HDAC3HDAC4HDAC6
SCHEMBL5006439 0.87 AKT3 (0.76) AKT3RAB9A
SCHEMBL6032999 0.86 AKT3 (0.67) AKT3RAB9A
SCHEMBL4996241 0.85 AKT3 (0.78) AKT3HDAC1
SCHEMBL5003717 0.84 AKT3 (1.00) AKT3HDAC1
SCHEMBL5006017 0.84 AKT3 (0.71) AKT3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN AKT3 1872/4885HDAC1 261/4885RAB9A 1684/4885

“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.