SCHEMBL4472958

SCHEMBL4472958

COc1ccc2cc(C(=O)O)c(Nc3ccc(Cl)c(Cl)c3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
PHLPP2 Q6ZVD8 2/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
KDR P35968 3/20 0.45
HPGD P15428 1/20 0.45
GFER P55789 1/20 0.45
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5202789 0.88 AKR1C3 (0.60) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL5207437 0.85 MEN1 (0.64) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL5203604 0.85 MAPK8 (0.49) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL5207302 0.85 MEN1 (0.50) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL4482947 0.84 AKR1C3 (0.58) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL5207762 0.84 AKR1C3 (0.49) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL5208003 0.84 AKR1C3 (0.49) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL5208486 0.83 AKR1C3 (0.50) SMN1; SMN2MAPTMEN1KMT2AAKR1C3
SCHEMBL5202876 0.82 AKR1C3 (0.62) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL4490345 0.82 FABP3 (0.51) SMN1; SMN2TP53MAPTMEN1KMT2A

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 SMN1; SMN2 4328/4885TP53 1054/4885MAPT 3468/4885

“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.