SCHEMBL4067929

SCHEMBL4067929

CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PDE5A O76074 1/20 0.39
PDE4B Q07343 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 2/20 0.37
RAD52 P43351 1/20 0.37

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
SCHEMBL4246885 0.87 ALDH1A1 (0.45) MEN1KMT2APKMKDM4EGAA
SCHEMBL985654 0.85 KDM4E (0.42) MEN1KMT2APKMKDM4EGAA
SCHEMBL982972 0.83 PDE5A (0.39) MEN1KMT2APKMKDM4EGAA
SCHEMBL4766494 0.83 ALDH1A1 (0.46) MEN1KMT2APKMKDM4EGAA
SCHEMBL4070214 0.83 ALDH1A1 (0.47) MEN1KMT2APKMKDM4EMAPT
SCHEMBL4073798 0.80 ALDH1A1 (0.43) MEN1KMT2APKMKDM4EGAA
SCHEMBL17042260 0.80 NPSR1 (0.55) MEN1KMT2APKMKDM4EGAA
SCHEMBL574989 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL30846439 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL27314724 0.78 ALDH1A1 (0.49) MEN1KMT2AKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 MEN1 3151/4885KMT2A 1852/4885PKM 889/4885

“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.