SCHEMBL792383

SCHEMBL792383

COCc1cc(N(C)C(=O)CN2CCOCC2)ccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 1/20 0.37
MGLL Q99685 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL792304 0.88 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL792372 0.86 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1LMNAKDM4E
SCHEMBL10252524 0.84 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13285736 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1KDM4EMAPT
SCHEMBL13950185 0.78 ALDH1A1 (0.39) HSP90AA1HSP90AB1ALDH1A1LMNAKDM4E
SCHEMBL791759 0.77 RORC (0.38) HSP90AA1HSP90AB1ALDH1A1LMNAKDM4E
SCHEMBL792326 0.77 L3MBTL1 (0.61) ALDH1A1LMNAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL428806 0.76 PRKDC (0.40) HSP90AA1HSP90AB1ALDH1A1LMNAKDM4E
SCHEMBL521220 0.74 HRH3 (0.48) HRH3ALDH1A1LMNATP53KDM4E
SCHEMBL425066 0.73 AKR1C3 (0.50) ALDH1A1LMNATP53KDM4ESMN1; 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 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 HRH3 4130/4885HSP90AA1 2103/4885HSP90AB1 1963/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI HRH3 4405/4885HSP90AA1 1924/4885HSP90AB1 1492/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI HRH3 4405/4885HSP90AA1 1924/4885HSP90AB1 1492/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH3 4130/4885HSP90AA1 2103/4885HSP90AB1 1963/4885

“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.