SCHEMBL6699562

SCHEMBL6699562

N#Cc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.48
VDR P11473 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
IDH1 O75874 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38

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
Hydrochloric Acid SCHEMBL5509699 0.99 NR1H4 (0.48) NR1H4VDRL3MBTL1IDH1CYP11B2
SCHEMBL14383755 0.95 NR1H4 (0.48) NR1H4VDRL3MBTL1IDH1CYP11B2
Hydrochloric Acid SCHEMBL5516880 0.95 NR1H4 (0.48) NR1H4VDRL3MBTL1IDH1CYP11B2
SCHEMBL5508885 0.94 NR1H4 (0.52) NR1H4VDRL3MBTL1IDH1CYP3A4
SCHEMBL5518746 0.93 NR1H4 (0.51) NR1H4VDRL3MBTL1IDH1CYP3A4
SCHEMBL14383714 0.92 NR1H4 (0.50) NR1H4VDRL3MBTL1IDH1CYP3A4
SCHEMBL5523392 0.91 NR1H4 (0.51) NR1H4VDRL3MBTL1IDH1CYP3A4
Hydrochloric Acid SCHEMBL5518788 0.91 NR1H4 (0.49) NR1H4VDRL3MBTL1IDH1CYP3A4
SCHEMBL5509706 0.91 NR1H4 (0.43) NR1H4VDRL3MBTL1CYP3A4CYP2D6
SCHEMBL5510322 0.90 NR1H4 (0.49) NR1H4VDRL3MBTL1IDH1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.