SCHEMBL4482947

SCHEMBL4482947

COc1ccc2cc(C(=O)O)c(Nc3ccccc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.58
AKR1C2 P52895 3/20 0.58
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
EGFR P00533 3/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CSF1R P07333 1/20 0.51
KDR P35968 3/20 0.49
RXFP1 Q9HBX9 1/20 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
SCHEMBL5208486 0.93 AKR1C3 (0.50) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL4496284 0.92 KDM4E (0.53) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL5202876 0.89 AKR1C3 (0.62) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL5208003 0.89 AKR1C3 (0.49) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL5207762 0.89 AKR1C3 (0.49) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL5202789 0.89 AKR1C3 (0.60) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL5207437 0.88 MEN1 (0.64) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL5204021 0.88 KMT2A (0.51) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL5205006 0.87 CNR2 (0.50) AKR1C3AKR1C2KDM4EGAAMAPT
SCHEMBL4487065 0.87 AKR1C3 (0.55) AKR1C3AKR1C2KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US claimed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-20060106058-A1 Chemical compounds BURGESS JOELLE L 2006-05-18 US disclosed
EP-1556379-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-07-27 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 AKR1C3 2262/4885AKR1C2 2739/4885KDM4E 1641/4885

“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.