SCHEMBL4482218

SCHEMBL4482218

COc1ccc2cc(C(=O)O)c(NCCc3ccccc3OC)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
CDK2 P24941 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4482389 0.89 CDK2 (0.43) ALDH1A1HTTMAPTSMN1; SMN2MTNR1A
SCHEMBL4488036 0.87 TACR3 (0.51) MAPTSMN1; SMN2GAATP53KDM4E
SCHEMBL4497855 0.84 PTGDR (0.51) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL4493553 0.83 KMT2A (0.57) ALDH1A1MAPK1MAPTPOLBSMN1; SMN2
SCHEMBL4487805 0.83 NFKB1 (0.48) MAPTSMN1; SMN2TP53CYP3A4MEN1
SCHEMBL4492686 0.83 CSNK2A2 (0.55) ALDH1A1MAPTMTNR1AMTNR1BAKR1C3
SCHEMBL4495043 0.82 SLC16A3 (0.46) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL4487682 0.82 ALDH1A1 (0.49) ALDH1A1HTTMAPTPOLBSMN1; SMN2
SCHEMBL4489484 0.81 TDP1 (0.50) ALDH1A1HTTMAPTPOLBSMN1; SMN2
SCHEMBL4481447 0.81 FERMT2 (0.45) ALDH1A1MAPTPOLBSMN1; 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 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 ALDH1A1 3862/4885HTT 1809/4885MAPK1 2323/4885

“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.