SCHEMBL1608797

SCHEMBL1608797

COc1cc2nc(-c3ccncc3)sc2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
AHR P35869 1/20 0.51
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
APP P05067 5/20 0.47
SULT1A1 P50225 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GLA P06280 3/20 0.46
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
HCRTR1 O43613 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PGK1 P00558 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL13806230 0.83 AHR (0.68) ILKAHRPDGFRBPDGFRAAPP
SCHEMBL25026544 0.83 KDM4E (0.67) KDM4ENPC1RAB9AAPPSULT1A1
SCHEMBL6946336 0.80 KDM4E (0.59) KDM4ENPC1RAB9AAHRPDGFRB
SCHEMBL26745576 0.77 KDM4E (0.59) KDM4ENPC1RAB9AAPPSULT1A1
SCHEMBL11239816 0.76 SMN1; SMN2 (0.50) ILKKDM4ENPC1RAB9AAHR
SCHEMBL11578754 0.76 AHR (0.49) ILKKDM4ENPC1RAB9AAHR
SCHEMBL11750870 0.75 APP (0.64) KDM4ENPC1RAB9AAPPALDH1A1
SCHEMBL572533 0.74 MAPT (0.55) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL3190615 0.74 MAPT (0.69) KDM4ENPC1RAB9AAPPALDH1A1
SCHEMBL14230794 0.73 SULT1A1 (0.72) KDM4ENPC1RAB9AAPPSULT1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282957-B New pharmaceutical compounds ORION CORP 2013-07-10 CN disclosed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
CN-101282957-A New pharmaceutical compounds ORION CORP (FI) 2008-10-08 CN disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 ILK 4243/4885KDM4E 2512/4885NPC1 558/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 ILK 4690/4885KDM4E 594/4885NPC1 1824/4885

“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.