SCHEMBL423276

SCHEMBL423276

COC(=O)c1cc2nc(-c3ccc(OCc4cc(N5CCCC5=O)ccc4-c4ccc(Cl)cc4)cc3)n(C3CCCCC3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.35
NR1H4 Q96RI1 4/20 0.35
F10 P00742 4/20 0.35
CNR1 P21554 4/20 0.34
CNR2 P34972 2/20 0.34
FFAR1 O14842 4/20 0.34
FFAR4 Q5NUL3 4/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL10252631 0.94 NR1H4 (0.38) VDRNR1H4CNR1FFAR1FFAR4
SCHEMBL10252632 0.93 NR1H4 (0.36) VDRNR1H4F10CNR1CNR2
Hydrochloric Acid SCHEMBL422490 0.93 NR1H4 (0.37) VDRNR1H4CNR1FFAR1FFAR4
SCHEMBL423277 0.88 CNR1 (0.38) F10CNR1FFAR1FFAR4
Hydrochloric Acid SCHEMBL422491 0.82 CNR1 (0.37) CNR1FFAR1FFAR4
SCHEMBL5516852 0.80 RPS6KB1 (0.42) VDRNR1H4F10FFAR1FFAR4
SCHEMBL421746 0.80 FFAR4 (0.37) VDRNR1H4FFAR4
SCHEMBL5508831 0.76 L3MBTL1 (0.41) VDRNR1H4
Hydrochloric Acid SCHEMBL5513175 0.75 L3MBTL1 (0.40) VDRNR1H4
SCHEMBL791356 0.75 L3MBTL1 (0.40) VDRNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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 (2 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI VDR 4864/4885NR1H4 616/4885F10 1485/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI VDR 4864/4885NR1H4 616/4885F10 1485/4885

“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.