SCHEMBL791959

SCHEMBL791959

COc1cc(OCc2ccncc2)cc(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.53
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PLA2G4B P0C869 1/20 0.50
NR4A2 P43354 2/20 0.49
ALKBH1 Q13686 2/20 0.48
SLC2A1 P11166 2/20 0.47
SLC2A4 P14672 1/20 0.47
XDH P47989 1/20 0.46
KDM5A P29375 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
SCHEMBL30595018 0.93 MEN1 (0.73) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL17085545 0.90 MEN1 (0.68) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL340452 0.87 MEN1 (0.84) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL29788233 0.87 MEN1 (0.84) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL791851 0.85 SLC2A1 (0.50) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL29788247 0.83 NR4A2 (0.66) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL5176108 0.83 MEN1 (0.59) MEN1KMT2AMRGPRX4NR4A2XDH
SCHEMBL2038274 0.83 NR4A2 (0.66) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14635650 0.80 MEN1 (0.58) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL7160639 0.79 NR4A2 (0.77) MEN1KMT2ASMN1; SMN2MRGPRX4NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885RAB9A 2410/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MEN1 4807/4885KMT2A 2259/4885RAB9A 1530/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MEN1 4807/4885KMT2A 2259/4885RAB9A 1530/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885RAB9A 2410/4885

“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.