SCHEMBL4482389

SCHEMBL4482389

COc1ccc2cc(C(=O)O)c(NCCc3ccccc3Cl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.43
CSNK1D P48730 1/20 0.43
TP53 P04637 3/20 0.43
MTNR1A P48039 7/20 0.42
MTNR1B P49286 6/20 0.42
NQO2 P16083 1/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
BRD4 O60885 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4492706 0.90 CSNK1D (0.47) CSNK1DTP53FABP3FABP4KDM4E
SCHEMBL4482218 0.89 ALDH1A1 (0.46) CDK2CSNK1DTP53MTNR1AMTNR1B
SCHEMBL4488036 0.86 TACR3 (0.51) TP53KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL4492756 0.83 MEN1 (0.48) CSNK1DSMN1; SMN2LMNAHPGDTACR3
SCHEMBL4497855 0.83 PTGDR (0.51) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL4487805 0.82 NFKB1 (0.48) TP53MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL4492686 0.82 CSNK2A2 (0.55) MTNR1AMTNR1BKDM4EALDH1A1MAPT
SCHEMBL4495043 0.81 SLC16A3 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL4487682 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4481447 0.80 FERMT2 (0.45) KDM4EALDH1A1BRD4MAPTSMN1; SMN2

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 CDK2 1168/4885CSNK1D 430/4885TP53 1054/4885

“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.