SCHEMBL421689

SCHEMBL421689

COc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N2CCC(N(C)C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
CDYL Q9Y232 2/20 0.38
PTGS2 P35354 2/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 1/20 0.35
PROKR1 Q8TCW9 2/20 0.35
MCHR1 Q99705 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
HSD11B1 P28845 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 SCHEMBL427755 0.89 PTGS2 (0.44) GRIN1GRIN2BPTGS2ALDH1A1LMNA
SCHEMBL424159 0.89 GRIN1 (0.46) GRIN1GRIN2BPTGS2ALDH1A1RAB9A
SCHEMBL423822 0.88 ACHE (0.41) GRIN1GRIN2BPTGS2ALDH1A1LMNA
SCHEMBL421690 0.86 CDYL (0.43) GRIN1GRIN2BCDYLPTGS2CDY1; CDY1B
SCHEMBL423330 0.86 GRIN1 (0.39) GRIN1GRIN2BALDH1A1KMT2APROKR1
SCHEMBL4879229 0.83 KMT2A (0.36) GRIN1GRIN2BCDYLPTGS2CDY1; CDY1B
SCHEMBL4874811 0.82 POLB (0.38) GRIN1GRIN2BALDH1A1
SCHEMBL4868463 0.81 KMT2A (0.39) GRIN1GRIN2BPTGS2ALDH1A1RAB9A
SCHEMBL4874058 0.81 ALDH1A1 (0.41) GRIN1GRIN2BPTGS2ALDH1A1RAB9A
SCHEMBL4866862 0.81 KMT2A (0.36) GRIN1GRIN2BPTGS2ALDH1A1RAB9A

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 GRIN1 4461/4885GRIN2B 4618/4885CDYL 3510/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GRIN1 4461/4885GRIN2B 4618/4885CDYL 3510/4885

“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.