SCHEMBL1002563

SCHEMBL1002563

COc1ccc(COc2cc(I)ccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.58
PDE2A O00408 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAOB P27338 1/20 0.45
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CSF1R P07333 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL8279828 0.83 PDE2A (0.52) APPPDE2ANPC1RAB9AMAOB
SCHEMBL29417533 0.83 NPC1 (0.54) APPPDE2ANPC1RAB9AMAOB
SCHEMBL116626 0.83 NPC1 (0.54) APPPDE2ANPC1RAB9AMAOB
SCHEMBL19159805 0.81 PDE2A (0.48) APPPDE2ANPC1RAB9AMAOB
SCHEMBL31381515 0.81 MAOB (0.49) APPPDE2ANPC1RAB9AMAOB
SCHEMBL3282879 0.80 APP (0.46) APPNPC1SMN1; SMN2
SCHEMBL28980427 0.80 PDE2A (0.47) APPPDE2ANPC1RAB9AMAOB
SCHEMBL4926749 0.80 LOXL2 (0.66) APPPDE2ANPC1RAB9AMAOB
SCHEMBL2176479 0.79 MAOB (0.58) APPNPC1RAB9AMAOBPOLB
SCHEMBL23477785 0.78 APP (0.54) APPPDE2ANPC1RAB9AMAOB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2934538-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-10-28 EP disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
US-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
EP-1921065-B1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMA CO LTD (JP) 2010-10-20 EP disclosed
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20090137587-A1 Phenylpyridone Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1921065-A1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 APP 3800/4885PDE2A 2982/4885NPC1 1192/4885
US-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR APP 1751/4885PDE2A 3015/4885NPC1 4658/4885
US-20090137587-A1 Phenylpyridone Derivative NAT1, NPR1, PC APP 243/4885PDE2A 1539/4885NPC1 728/4885

“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.