SCHEMBL5508934

SCHEMBL5508934

CCOC(=O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(OC)ccc3-c3ccc(Cl)cc3)cc1)n2C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
NLRP3 Q96P20 1/20 0.47
SIRT2 Q8IXJ6 6/20 0.45
SIRT1 Q96EB6 5/20 0.45
NR1H4 Q96RI1 5/20 0.44
VDR P11473 4/20 0.43
RPS6KB1 P23443 1/20 0.42
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
IDH1 O75874 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5513009 0.95 SIRT2 (0.46) MAPTNPC1NLRP3SIRT2SIRT1
SCHEMBL5514105 0.94 NR1H4 (0.47) MAPTNPC1NLRP3NR1H4VDR
SCHEMBL5521033 0.93 NR1H4 (0.49) MAPTNPC1NLRP3SIRT2SIRT1
SCHEMBL5527483 0.92 NR1H4 (0.51) NR1H4VDRIDH1L3MBTL1
Hydrochloric Acid SCHEMBL5515106 0.91 NR1H4 (0.50) NR1H4VDRIDH1L3MBTL1
SCHEMBL5519411 0.88 MAPT (0.50) MAPTNPC1NLRP3SIRT2SIRT1
SCHEMBL5516962 0.87 NR1H4 (0.51) NR1H4VDRIDH1L3MBTL1
SCHEMBL5520955 0.87 L3MBTL1 (0.52) MAPTNR1H4VDRRPS6KB1IDH1
SCHEMBL5520810 0.87 NR1H4 (0.45) NR1H4VDRIDH1L3MBTL1
Hydrochloric Acid SCHEMBL5512953 0.87 NR1H4 (0.49) MAPTNR1H4VDRRPS6KB1IDH1

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 3967/4885NPC1 461/4885NLRP3 1446/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MAPT 3928/4885NPC1 100/4885NLRP3 1330/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MAPT 3203/4885NPC1 121/4885NLRP3 525/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 MAPT 4439/4885NPC1 196/4885NLRP3 3048/4885

“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.