SCHEMBL837205

SCHEMBL837205

O=C1C(CCCCBr)CCN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL14618383 0.83 HDAC1 (0.39) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL27380229 0.82 KCNH2 (0.45) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL28613401 0.82 HSD11B1 (0.44) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL9461582 0.81 HDAC1 (0.45) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL6733710 0.79 HSD11B1 (0.57) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL28088744 0.78 HDAC1 (0.45) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL7278801 0.78 HDAC1 (0.48) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL836757 0.78 HSD11B1 (0.50) HDAC1HDAC8HDAC6ALDH1A1DDB1
SCHEMBL23364678 0.78 ALDH1A1 (0.43) HDAC1HDAC8HDAC6ALDH1A1EHMT2
SCHEMBL8965454 0.78 SLC6A2 (0.45) HDAC1HDAC8HDAC6ALDH1A1

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-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
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-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 EP disclosed
EP-1912991-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-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 HDAC1 4162/4885HDAC8 3336/4885HDAC6 4296/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH HDAC1 4403/4885HDAC8 3200/4885HDAC6 4428/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 HDAC1 4170/4885HDAC8 3382/4885HDAC6 4240/4885

“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.