SCHEMBL428408

SCHEMBL428408

CN(C)C(=O)Cn1c(-c2ccccc2OCc2ccccc2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
PTGER1 P34995 7/20 0.36
SGMS2 Q8NHU3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CYP19A1 P11511 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL424912 0.87 NR4A2 (0.41) MCL1LTB4RLTB4R2CYP2D6HRH1
SCHEMBL425801 0.86 MCL1 (0.41) MCL1PTGER1SGMS2RXRARXRB
SCHEMBL428409 0.84 PTGER1 (0.41) MCL1PTGER1LTB4RLTB4R2RXRA
SCHEMBL2997714 0.84 MAPT (0.38) CYP2D6HRH1KCNH2
SCHEMBL422945 0.80 CYP2D6 (0.38) CYP2D6HRH1KCNH2MEN1KMT2A
SCHEMBL13211534 0.80 CYP2D6 (0.39) CYP2D6HRH1KCNH2
SCHEMBL27642319 0.79 AOC3 (0.33) CYP2D6HRH1KCNH2
SCHEMBL2989758 0.79 AVPR1B (0.34) CYP2D6HRH1KCNH2
SCHEMBL423330 0.78 GRIN1 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL2987937 0.78 CNR1 (0.35) CYP2D6HRH1KCNH2

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 10 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-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 MCL1 2560/4885PTGER1 4418/4885SGMS2 4495/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MCL1 2560/4885PTGER1 4418/4885SGMS2 4495/4885

“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.