SCHEMBL2596459

SCHEMBL2596459

COc1ccc(Br)c2cc(-c3cccnc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP1B1 Q16678 3/20 0.58
CYP19A1 P11511 3/20 0.49
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PPARG P37231 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
F2RL3 Q96RI0 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PDE4A P27815 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 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
SCHEMBL7013285 0.82 PDE4A (0.52) CYP1A1CYP1A2CYP1B1CYP19A1CYP11B1
SCHEMBL4454661 0.72 CYP11B2 (0.66) CYP1A2CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL7398618 0.72 NPC1 (0.56) CYP19A1CYP11B1CYP11B2KDM4ENPC1
SCHEMBL4702517 0.71 NPC1 (0.80) CYP19A1CYP11B1CYP11B2KDM4ENPC1
Bromide SCHEMBL7398620 0.70 NPC1 (0.78) CYP19A1CYP11B1CYP11B2KDM4ENPC1
SCHEMBL25218648 0.70 KDM4E (0.42) CYP1A1CYP1A2CYP1B1CYP19A1CYP11B1
SCHEMBL5457223 0.70 MAPK1 (0.51) CYP19A1CYP11B1CYP11B2KDM4ENPC1
SCHEMBL30461684 0.70 KDM4E (0.42) CYP1A1CYP1A2CYP1B1CYP19A1CYP11B1
SCHEMBL16345751 0.70 F2RL3 (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL7015113 0.69 CYP1A2 (0.49) CYP1A1CYP1A2CYP1B1CYP19A1CYP11B1

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
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 CYP1A1 349/4885CYP1A2 345/4885CYP1B1 107/4885

“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.