SCHEMBL4500058

SCHEMBL4500058

COc1cccc(CNc2nc3cc(OC)ccc3cc2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
APP P05067 1/20 0.52
APEX1 P27695 1/20 0.51
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
HIF1A Q16665 1/20 0.49
HPGDS O60760 1/20 0.47
MAPT P10636 1/20 0.47
MMP13 P45452 1/20 0.47
ACP1 P24666 1/20 0.47
HTT P42858 2/20 0.47
EGFR P00533 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4489260 0.93 HPGDS (0.55) SMN1; SMN2APPRAB9AHPGDSMAPT
SCHEMBL4496183 0.91 LMNA (0.46) SMN1; SMN2APPAPEX1RAB9AMEN1
SCHEMBL4501469 0.91 APEX1 (0.49) SMN1; SMN2APPAPEX1MEN1KMT2A
SCHEMBL4484547 0.91 APP (0.48) SMN1; SMN2APPAPEX1RAB9AMEN1
SCHEMBL4487073 0.90 KDM4E (0.53) APPRAB9AMEN1KMT2AHIF1A
SCHEMBL4492686 0.89 CSNK2A2 (0.55) APEX1MEN1KMT2AMAPTALDH1A1
SCHEMBL4493680 0.89 MITF (0.56) APPMEN1KMT2AAURKARPS6KB1
SCHEMBL4489700 0.88 HIF1A (0.58) SMN1; SMN2RAB9AMEN1KMT2AAURKA
SCHEMBL4482214 0.88 AURKA (0.49) SMN1; SMN2APPAURKARPS6KB1HIF1A
SCHEMBL4477510 0.86 KDM4E (0.47) SMN1; SMN2MEN1KMT2AHPGDSMAPT

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 4328/4885APP 4801/4885APEX1 822/4885

“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.