SCHEMBL5509706

SCHEMBL5509706

N#Cc1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)O)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.43
VDR P11473 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
KCNH2 Q12809 3/20 0.39
GLP1R P43220 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
SCHEMBL5509722 0.94 L3MBTL1 (0.48) NR1H4VDRL3MBTL1CYP2C9CYP3A4
SCHEMBL5513110 0.92 NR1H4 (0.37) NR1H4VDRL3MBTL1CYP2C9CYP3A4
SCHEMBL5527065 0.91 L3MBTL1 (0.47) NR1H4VDRL3MBTL1CYP2C9CYP3A4
SCHEMBL6699562 0.91 NR1H4 (0.48) NR1H4VDRL3MBTL1CYP2C9CYP3A4
SCHEMBL14031755 0.90 L3MBTL1 (0.45) NR1H4VDRL3MBTL1CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL5509699 0.90 NR1H4 (0.48) NR1H4VDRL3MBTL1CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL5516511 0.89 L3MBTL1 (0.44) NR1H4VDRL3MBTL1CYP2C9CYP3A4
SCHEMBL14031737 0.89 L3MBTL1 (0.45) NR1H4VDRL3MBTL1CYP2C9CYP3A4
SCHEMBL14383766 0.89 L3MBTL1 (0.43) NR1H4VDRL3MBTL1CYP2C9CYP3A4
SCHEMBL5508916 0.89 L3MBTL1 (0.47) NR1H4VDRL3MBTL1CYP2C9CYP3A4

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
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

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 NR1H4 484/4885VDR 3852/4885L3MBTL1 3799/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C NR1H4 37/4885VDR 3966/4885L3MBTL1 4672/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C NR1H4 51/4885VDR 4125/4885L3MBTL1 4730/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 NR1H4 20/4885VDR 4266/4885L3MBTL1 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.