SCHEMBL5733273

SCHEMBL5733273

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc(OCc3ccccc3)cc1)n2CC(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.47
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CBX7 O95931 3/20 0.40
CDYL2 Q8N8U2 3/20 0.40
CDYL Q9Y232 3/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
NR4A2 P43354 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPY1R P25929 1/20 0.36

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 SCHEMBL423770 0.99 ACHE (0.47) ACHEPOLBGAATSHRCBX7
SCHEMBL5732721 0.95 KDM4E (0.42) ACHEHRH3NR4A2CYP2D6NPSR1
Hydrochloric Acid SCHEMBL425038 0.94 KDM4E (0.41) ACHEHRH3NR4A2CYP2D6NPSR1
SCHEMBL2996596 0.90 MAPT (0.40) ACHENR4A2CYP2C19NPSR1KDM4E
SCHEMBL10252593 0.89 NPY1R (0.42) ACHEHRH3NR4A2NPSR1KDM4E
Hydrochloric Acid SCHEMBL424274 0.88 NPY1R (0.41) ACHEHRH3NPSR1KDM4ENPY1R
SCHEMBL2996472 0.86 POLB (0.42) ACHEPOLBGAATSHRCBX7
SCHEMBL2996646 0.86 GAA (0.42) ACHEPOLBGAATSHRCBX7
SCHEMBL5732725 0.86 ACHE (0.43) ACHEPOLBGAATSHRHRH3
SCHEMBL10252715 0.85 HRH3 (0.41) HRH3NR4A2CYP2D6KDM4ENPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACHE 3754/4885POLB 88/4885GAA 451/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ACHE 3754/4885POLB 88/4885GAA 451/4885

“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.