SCHEMBL2596508

SCHEMBL2596508

COc1ccc(-c2cc3ccccc3o2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.59
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
APP P05067 3/20 0.50
MAOB P27338 2/20 0.50
ALOX5 P09917 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ADRA2A P08913 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ERN1 O75460 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NFKB1 P19838 1/20 0.45
NPY1R P25929 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATG4B Q9Y4P1 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
SCHEMBL21472147 0.80 MAOB (0.54) NPC1RAB9AAPPMAOBALOX5
SCHEMBL4661027 0.78 MAOB (0.56) NPC1RAB9AAPPMAOBALOX5
SCHEMBL3687210 0.77 MAOB (0.54) NPC1RAB9AAPPMAOBALOX5
SCHEMBL21462499 0.77 MAOB (0.54) NPC1RAB9AAPPMAOBALOX5
SCHEMBL21473052 0.76 MAOB (0.53) NPC1RAB9AMAOBALOX5ADRA2A
SCHEMBL3685028 0.76 MAOB (0.63) NPC1RAB9AAPPMAOBALOX5
SCHEMBL17672258 0.75 KDM4E (0.51) NPC1RAB9AMAOBALOX5ADRA2A
SCHEMBL19029307 0.75 HDAC6 (1.00) HDAC6NPC1RAB9AAPP
SCHEMBL21462312 0.74 MAOB (0.54) NPC1RAB9AMAOBALOX5ADRA2A
SCHEMBL11672469 0.74 ABCB1 (0.65) NPC1RAB9AMAOBALOX5ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569292-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF Ikerchem, S.L. (ES) 2013-03-20 EP claimed
WO-2011141458-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF IKERCHEM, S.L. (ES) 2011-11-17 WO claimed
US-8835659-B2 Polysubstituted benzofurans and medicinal applications thereof IKERCHEM, S.L. (ES) 2014-09-16 US disclosed
US-20130217730-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF IKERCHEM, S.L. (ES) 2013-08-22 US disclosed
EP-2569292-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF Ikerchem, S.L. (ES) 2013-03-20 EP disclosed
WO-2011141458-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF IKERCHEM, S.L. (ES) 2011-11-17 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 (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-20130217730-A1 POLYSUBSTITUTED BENZOFURANS AND MEDICINAL APPLICATIONS THEREOF AGER, TFEB, FPGS HDAC6 27/4885NPC1 626/4885RAB9A 3892/4885

“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.