SCHEMBL4487727

SCHEMBL4487727

COc1ccc2cc(C(=O)O)c(N3CCCCC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
CASP1 P29466 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
ALOX15 P16050 4/20 0.49
MAPK1 P28482 3/20 0.49
CASP7 P55210 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 2/20 0.49
PABPC1 P11940 1/20 0.49
APEX1 P27695 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 4/20 0.48
GAA P10253 3/20 0.48
CLK1 P49759 2/20 0.48

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
SCHEMBL4488335 0.87 KDM4E (0.54) KDM4EALDH1A1RAB9ANPC1CASP1
SCHEMBL26617618 0.87 SCN10A (0.44) KDM4EALDH1A1RAB9ANPC1CASP1
SCHEMBL26617826 0.78 MEN1 (0.48) KDM4EALDH1A1RAB9ANPC1CASP1
SCHEMBL2945200 0.76 ALDH1A1 (0.67) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL31055812 0.76 KDM4E (0.52) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL7064360 0.76 KDM4E (0.52) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL28532626 0.76 KDM4E (0.52) KDM4EALDH1A1RAB9ANPC1ATM
SCHEMBL26617817 0.75 HSD17B10 (0.41) KDM4EALDH1A1RAB9ANPC1CASP1
SCHEMBL621720 0.74 KDM4E (0.58) KDM4EALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL6646083 0.74 KEAP1 (0.49) KDM4EALDH1A1L3MBTL1MAPK1MEN1

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 20 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-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP claimed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP claimed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US 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
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO claimed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP claimed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO claimed
US-7482455-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-01-27 US disclosed
EP-1372654-A4 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORP (US) 2007-10-03 EP disclosed
EP-1556379-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-06-13 EP disclosed
US-7087758-B2 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 US 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
US-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
WO-2004034985-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed
EP-1372654-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
WO-2002081728-A2 QUINOLINE INHIBITORS OF HYAK1 AND HYAK3 KINASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 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 (2 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-20050043352-A1 Quinoline inhibitors of hyaki and hyak3 kinases HIPK3, HIPK1, HYPK KDM4E 2924/4885ALDH1A1 3983/4885RAB9A 1186/4885
US-20060106058-A1 Chemical compounds YARS1, DAPK3, NEK3 KDM4E 1641/4885ALDH1A1 3862/4885RAB9A 1181/4885

“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.