SCHEMBL5508936

SCHEMBL5508936

O=C(O)c1ccc2c(c1)nc(-c1ccc(NC(=O)c3ccccc3)cc1)n2C1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
BCAT2 O15382 1/20 0.47
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC10 Q969S8 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
NAMPT P43490 1/20 0.45
PTPN1 P18031 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HCAR3 P49019 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
SCHEMBL14382791 0.97 L3MBTL1 (0.58) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382799 0.93 L3MBTL1 (0.56) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382750 0.93 L3MBTL1 (0.52) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382920 0.93 L3MBTL1 (0.52) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382749 0.92 L3MBTL1 (0.55) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382754 0.92 L3MBTL1 (0.58) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382796 0.92 L3MBTL1 (0.55) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL5519207 0.92 L3MBTL1 (0.55) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382795 0.92 L3MBTL1 (0.58) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL14382958 0.92 L3MBTL1 (0.53) L3MBTL1CYP3A4CYP2D6CYP2C9CYP1A2

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 14 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
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-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 L3MBTL1 3799/4885CYP3A4 1303/4885CYP2D6 1387/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C L3MBTL1 4672/4885CYP3A4 165/4885CYP2D6 336/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C L3MBTL1 4730/4885CYP3A4 234/4885CYP2D6 470/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 L3MBTL1 4548/4885CYP3A4 102/4885CYP2D6 222/4885

“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.