SCHEMBL4259992

SCHEMBL4259992

Nc1cc(OCc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.56
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MCL1 Q07820 2/20 0.49
SQOR Q9Y6N5 1/20 0.49
MAOB P27338 2/20 0.49
GAA P10253 2/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX5 P09917 1/20 0.47
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
BACE1 P56817 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL15305717 0.87 MAOB (0.58) XDHMAPTNPSR1MAOBGAA
SCHEMBL4264922 0.83 NPC1 (0.59) MAPTNPSR1GAAADORA2AADORA1
SCHEMBL22139476 0.80 PTGS1 (0.67) XDHMAPTMCL1MAOBGAA
SCHEMBL21256501 0.79 TSHR (0.51) MAPTNPSR1MAOBGAAMAOA
SCHEMBL13952547 0.79 XDH (0.51) XDHMAPTADORA2AADORA1RAB9A
SCHEMBL4265711 0.78 MCL1 (0.74) XDHMCL1SQORMEN1KMT2A
SCHEMBL4264891 0.77 TLR8 (0.49) ADORA2AADORA1RAB9AALDH1A1LMNA
SCHEMBL14311058 0.76 MAOB (0.50) XDHMAPTNPSR1MAOBGAA
SCHEMBL4263343 0.75 MCL1 (0.52) XDHMCL1SQORADORA2AADORA1
SCHEMBL4267162 0.75 MCL1 (0.58) XDHMCL1SQORRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012019299-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-16 WO disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 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 (1 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 XDH 2487/4885MAPT 3900/4885NPSR1 3167/4885

“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.