SCHEMBL4496280

SCHEMBL4496280

COc1ccc2cc(C(=O)O)c(Nc3c(C)cccc3Cl)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.55
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
CHRNA7 P36544 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
SRC P12931 1/20 0.42
DHODH Q02127 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4490345 0.84 FABP3 (0.51) FABP3FABP4MAPTSMN1; SMN2HPGD
SCHEMBL5207437 0.81 MEN1 (0.64) PHLPP2MAPTSMN1; SMN2HPGDMEN1
SCHEMBL4482947 0.79 AKR1C3 (0.58) MAPTSMN1; SMN2HPGDMEN1LMNA
SCHEMBL5202876 0.79 AKR1C3 (0.62) MAPTSMN1; SMN2HPGDMEN1LMNA
SCHEMBL4472958 0.79 SMN1; SMN2 (0.50) PHLPP2MAPTSMN1; SMN2HPGDMEN1
SCHEMBL5202789 0.79 AKR1C3 (0.60) PHLPP2MAPTSMN1; SMN2HPGDMEN1
Hydrochloric Acid SCHEMBL11240701 0.79 LCK (0.52) LCKCHRNA7HPGDKDM4EALDH1A1
SCHEMBL5207302 0.78 MEN1 (0.50) PHLPP2MAPTHPGDMEN1LMNA
SCHEMBL4496284 0.77 KDM4E (0.53) FABP3FABP4MAPTSMN1; SMN2HPGD
SCHEMBL4492706 0.77 CSNK1D (0.47) FABP3FABP4MAPTSMN1; SMN2HPGD

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 13 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-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP 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
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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 LCK 802/4885FABP3 3871/4885FABP4 4681/4885

“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.