SCHEMBL423277

SCHEMBL423277

COC(=O)c1cc2nc(-c3ccc(OCc4cc(N5CCCC5=O)ccc4-c4ccc(Cl)cc4)cc3)n(-c3ccccc3)c2s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.36
FFAR1 O14842 6/20 0.35
FFAR4 Q5NUL3 6/20 0.35
F10 P00742 4/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADAM17 P78536 1/20 0.34
MET P08581 1/20 0.34
ROS1 P08922 1/20 0.34
ALK Q9UM73 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
Hydrochloric Acid SCHEMBL422491 0.94 CNR1 (0.37) CNR1KMT2AFFAR1FFAR4ADRA1A
SCHEMBL423276 0.88 VDR (0.35) CNR1FFAR1FFAR4F10
SCHEMBL10252631 0.83 NR1H4 (0.38) CNR1FFAR1FFAR4
Hydrochloric Acid SCHEMBL422490 0.83 NR1H4 (0.37) CNR1FFAR1FFAR4
SCHEMBL10252632 0.81 NR1H4 (0.36) CNR1FFAR1FFAR4F10
SCHEMBL421747 0.80 FFAR4 (0.41) KMT2AFFAR4ADRA1AKCNH2HRH3
SCHEMBL424230 0.73 ALDH1A1 (0.47) KMT2ANPC1RAB9A
SCHEMBL5516852 0.72 RPS6KB1 (0.42) THRBFFAR1FFAR4F10KCNH2
SCHEMBL422989 0.72 ALDH1A1 (0.50) KMT2ANPC1RAB9A
SCHEMBL14614872 0.71 FFAR1 (0.43) KMT2AFFAR1FFAR4F10

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-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-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 CNR1 4000/4885KMT2A 2259/4885THRB 4721/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CNR1 4000/4885KMT2A 2259/4885THRB 4721/4885

“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.