SCHEMBL5508908

SCHEMBL5508908

O=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
HCAR3 P49019 4/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.51
IDH1 O75874 2/20 0.49
PRKACA P17612 1/20 0.47
GSK3B P49841 1/20 0.47
ROCK1 Q13464 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
RPS6KB1 P23443 1/20 0.45
VDR P11473 3/20 0.45
NR1H4 Q96RI1 3/20 0.45
PTGER4 P35408 2/20 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
SCHEMBL27672880 0.99 L3MBTL1 (0.69) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14382664 0.94 L3MBTL1 (0.71) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14382799 0.91 L3MBTL1 (0.56) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14382774 0.91 L3MBTL1 (0.70) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14382577 0.91 L3MBTL1 (0.67) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14382666 0.90 L3MBTL1 (0.70) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14382768 0.89 L3MBTL1 (0.65) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14613999 0.89 L3MBTL1 (0.72) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14613992 0.89 L3MBTL1 (0.65) L3MBTL1HCAR3HSD17B10GAAIDH1
SCHEMBL14382453 0.89 JAK2 (0.58) L3MBTL1PRKACAGSK3BROCK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 3799/4885HCAR3 3400/4885HSD17B10 486/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C L3MBTL1 4672/4885HCAR3 1642/4885HSD17B10 300/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C L3MBTL1 4730/4885HCAR3 1271/4885HSD17B10 280/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 L3MBTL1 4548/4885HCAR3 3994/4885HSD17B10 548/4885

“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.