SCHEMBL792483

SCHEMBL792483

CCOCc1cc(N)ccc1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
ACHE P22303 1/20 0.38
GAA P10253 6/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP19A1 P11511 1/20 0.34
MAPK1 P28482 3/20 0.33
TP53 P04637 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
APP P05067 2/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL12427116 0.82 GAA (0.39) PRKCIACHEGAAMAPTKDM4E
SCHEMBL10252934 0.81 ALDH1A1 (0.36) GAAMAPTKDM4ETSHRHTR2A
SCHEMBL150471 0.80 PRKCI (0.44) PRKCIACHEGAAMAPTKDM4E
SCHEMBL12474893 0.78 PRKCI (0.39) PRKCIACHEGAAMAPTKDM4E
SCHEMBL29665089 0.78 PRKCI (0.39) PRKCIACHEGAAMAPTKDM4E
SCHEMBL791968 0.77 ALDH1A1 (0.45) PRKCIACHEGAAMAPTKDM4E
SCHEMBL13145347 0.77 PRKCI (0.38) PRKCIACHEGAAMAPTKDM4E
SCHEMBL4532794 0.76 SLC6A4 (0.47) PRKCIACHEGAAMAPTKDM4E
SCHEMBL21741565 0.76 PRKCI (0.40) PRKCIACHEGAAMAPTCYP19A1
SCHEMBL7761828 0.75 PRKCI (0.58) PRKCIACHEGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 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 (3 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 PRKCI 1580/4885ACHE 3754/4885GAA 451/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PRKCI 1580/4885ACHE 3754/4885GAA 451/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCI 1180/4885ACHE 3981/4885GAA 374/4885

“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.