SCHEMBL4246885

SCHEMBL4246885

CCNc1c(C(=O)OCC)cnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 6/20 0.40
MAPK1 P28482 3/20 0.40
HSP90AA1 P07900 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4766494 0.89 ALDH1A1 (0.46) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL4067929 0.87 MEN1 (0.42) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL4073798 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL17042260 0.86 NPSR1 (0.55) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL574989 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL30846439 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL27314724 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL985654 0.82 KDM4E (0.42) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL4497497 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL14031475 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EGAA

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
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
CN-1859912-A Inhibitors of Akt activity SMITHKLINE BEECHAM CORP (US) 2006-11-08 CN 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 ALDH1A1 4166/4885MEN1 3151/4885KMT2A 1852/4885

“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.