SCHEMBL5517064

SCHEMBL5517064

O=C(O)c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)n(C3CCCC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.62
VDR P11473 7/20 0.62
BMPR2 Q13873 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
SRD5A2 P31213 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
CHEK2 O96017 1/20 0.44
GLP1R P43220 1/20 0.44

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
SCHEMBL5518839 0.92 L3MBTL1 (0.55) NR1H4VDRNR4A1NR4A2NR4A3
SCHEMBL5511355 0.91 L3MBTL1 (0.57) NR1H4VDRNR4A1NR4A2NR4A3
SCHEMBL791364 0.91 L3MBTL1 (0.57) NR1H4VDRNR4A1NR4A2NR4A3
SCHEMBL14382913 0.90 NR1H4 (0.54) NR1H4VDRNR4A1NR4A2NR4A3
SCHEMBL5519048 0.89 L3MBTL1 (0.54) NR1H4VDRNR4A1NR4A2NR4A3
SCHEMBL14382681 0.88 NR1H4 (0.53) NR1H4VDRNR4A1NR4A2NR4A3
SCHEMBL5526412 0.87 L3MBTL1 (0.56) NR1H4VDRNR4A2L3MBTL1
SCHEMBL14382397 0.86 NR1H4 (0.53) NR1H4VDRNR4A2L3MBTL1
SCHEMBL5517581 0.85 NR1H4 (0.52) NR1H4VDRL3MBTL1
SCHEMBL14382921 0.85 NR1H4 (0.52) NR1H4VDRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 CN claimed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US claimed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US claimed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP claimed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US claimed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP claimed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
CN-1893941-A Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC (JP) 2007-01-10 CN disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 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 (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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C NR1H4 484/4885VDR 3852/4885BMPR2 4775/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C NR1H4 37/4885VDR 3966/4885BMPR2 4230/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C NR1H4 51/4885VDR 4125/4885BMPR2 4246/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 NR1H4 20/4885VDR 4266/4885BMPR2 4591/4885

“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.