SCHEMBL838157

SCHEMBL838157

OCCCc1cc(Cc2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.41
NPC1 O15118 3/20 0.40
PPARA Q07869 1/20 0.40
MAPK1 P28482 2/20 0.39
JAK2 O60674 2/20 0.39
ROCK2 O75116 2/20 0.39
PRKACA P17612 2/20 0.39
CDK2 P24941 2/20 0.39
KDR P35968 2/20 0.39
GSK3B P49841 2/20 0.39
AURKB Q96GD4 2/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CDK1 P06493 1/20 0.39
FGFR1 P11362 1/20 0.39

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
SCHEMBL7508783 0.82 PPARA (0.57) SMN1; SMN2RAB9ATDP1ALDH1A1L3MBTL1
SCHEMBL9959324 0.76 LTA4H (0.51) SMN1; SMN2RAB9ATDP1POLBNPC1
SCHEMBL25013973 0.75 PPARA (0.41) PPARANOTUM
SCHEMBL13247845 0.74 NOTUM (0.70) SMN1; SMN2RAB9ATDP1L3MBTL1NPC1
SCHEMBL24103027 0.73 TSHR (0.44) SMN1; SMN2RAB9ATDP1ALDH1A1L3MBTL1
SCHEMBL21405370 0.72 HRH4 (0.45) SMN1; SMN2RAB9ATDP1L3MBTL1POLB
SCHEMBL8876022 0.71 PPARA (0.38) RAB9APPARA
SCHEMBL8875619 0.71 PPARA (0.41) RAB9APPARANOTUM
SCHEMBL8874907 0.71 PPARA (0.41) RAB9APPARA
SCHEMBL19580961 0.71 CYP4F2 (0.39) SMN1; SMN2RAB9ATDP1ALDH1A1L3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
CN-101282977-B Xanthine derivatives as selective hm74a agonists SMITHKLINE BEECHAM CORP 2011-07-27 CN disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 US disclosed
CN-101282976-A Xanthine derivatives as selective HM74A agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
CN-101282977-A Xanthine derivatives as selective hm74a agonists SMITHKLINE BEECHAM CORP (US) 2008-10-08 CN disclosed
EP-1912991-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
WO-2007017261-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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 (3 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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 SMN1; SMN2 740/4885RAB9A 1775/4885TDP1 1322/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH SMN1; SMN2 782/4885RAB9A 1905/4885TDP1 907/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 SMN1; SMN2 761/4885RAB9A 1728/4885TDP1 1253/4885

“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.