SCHEMBL5508901

SCHEMBL5508901

O=C(O)c1ccc2c(c1)nc(-c1ccc(Oc3cccc(OCc4ccc(F)cc4)c3)cc1)n2C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.48
NR1H4 Q96RI1 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 7/20 0.47
NR4A2 P43354 1/20 0.47
IDH1 O75874 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CPT1A P50416 1/20 0.41

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
SCHEMBL5517031 0.94 L3MBTL1 (0.51) VDRNR1H4L3MBTL1PPARGNR4A2
SCHEMBL5517598 0.92 NR1H4 (0.51) VDRNR1H4L3MBTL1PPARGNR4A2
SCHEMBL5516932 0.92 VDR (0.46) VDRNR1H4L3MBTL1PPARGIDH1
SCHEMBL5517289 0.91 L3MBTL1 (0.48) VDRNR1H4L3MBTL1PPARGIDH1
SCHEMBL5515018 0.90 NR4A2 (0.49) VDRNR1H4L3MBTL1PPARGNR4A2
SCHEMBL5519048 0.89 L3MBTL1 (0.54) VDRNR1H4L3MBTL1NR4A2IDH1
SCHEMBL5513996 0.88 NR1H4 (0.51) VDRNR1H4L3MBTL1PPARGNR4A2
SCHEMBL5523525 0.88 VDR (0.47) VDRNR1H4L3MBTL1PPARGIDH1
SCHEMBL5520766 0.88 L3MBTL1 (0.59) VDRNR1H4L3MBTL1IDH1
SCHEMBL5520917 0.87 L3MBTL1 (0.49) VDRNR1H4L3MBTL1PPARGIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1342145-A fused ring compound and pharmaceutical use thereof JAPAN TOBACCO INC (JP) 2002-03-27 CN 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
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 VDR 3852/4885NR1H4 484/4885L3MBTL1 3799/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C VDR 3966/4885NR1H4 37/4885L3MBTL1 4672/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C VDR 4125/4885NR1H4 51/4885L3MBTL1 4730/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 VDR 4266/4885NR1H4 20/4885L3MBTL1 4548/4885

“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.