SCHEMBL5511200

SCHEMBL5511200

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
SIRT2 Q8IXJ6 3/20 0.55
SIRT1 Q96EB6 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
RPS6KB1 P23443 1/20 0.48
PDE2A O00408 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 2/20 0.46
PDE7A Q13946 1/20 0.46
ELANE P08246 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 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
SCHEMBL14382808 0.93 L3MBTL1 (0.53) MAPTTP53RXFP1SIRT2SIRT1
SCHEMBL14382846 0.88 MAPT (0.57) MAPTTP53RXFP1SIRT2SIRT1
SCHEMBL5508936 0.88 L3MBTL1 (0.57) RXFP1GAAL3MBTL1CYP3A4CYP1A2
SCHEMBL14382791 0.85 L3MBTL1 (0.58) RXFP1GAAL3MBTL1CYP3A4CYP1A2
SCHEMBL14382748 0.85 L3MBTL1 (0.50) MAPTTP53RXFP1SMN1; SMN2NPC1
SCHEMBL5513980 0.84 SIRT2 (0.56) MAPTTP53RXFP1SIRT2SIRT1
SCHEMBL5513984 0.84 SIRT2 (0.56) MAPTTP53RXFP1SIRT2SIRT1
SCHEMBL14382680 0.83 MAPT (0.53) MAPTTP53RXFP1SMN1; SMN2NPC1
SCHEMBL5514113 0.83 SIRT2 (0.54) MAPTTP53RXFP1SIRT2SIRT1
SCHEMBL5518664 0.83 RPS6KB1 (0.56) MAPTTP53RXFP1SIRT2SIRT1

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 MAPT 3967/4885TP53 89/4885RXFP1 4865/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MAPT 3928/4885TP53 166/4885RXFP1 4816/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MAPT 3203/4885TP53 132/4885RXFP1 4848/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 MAPT 4439/4885TP53 358/4885RXFP1 4493/4885

“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.