SCHEMBL428806

SCHEMBL428806

CC(=O)OCc1cc(N(C)C(C)=O)ccc1N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
PTBP1 P26599 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ATM Q13315 1/20 0.39
KMT2A Q03164 2/20 0.37
ALOX5 P09917 1/20 0.37
AKR1C3 P42330 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 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
SCHEMBL792372 0.89 HSP90AA1 (0.43) NPC1ALDH1A1LMNAMAPTKDM4E
SCHEMBL425066 0.85 AKR1C3 (0.50) NPC1ALDH1A1LMNAMAPTKDM4E
SCHEMBL10287453 0.84 ALDH1A1 (0.42) NPC1ALDH1A1LMNAMAPTKDM4E
SCHEMBL428323 0.84 ALDH1A1 (0.42) NPC1ALDH1A1LMNAMAPTKDM4E
SCHEMBL10252524 0.78 HSP90AA1 (0.41) NPC1ALDH1A1MAPTKDM4EHTT
SCHEMBL423109 0.78 ALDH1A1 (0.53) NPC1ALDH1A1LMNAMAPTKDM4E
SCHEMBL792304 0.77 HSP90AA1 (0.43) NPC1ALDH1A1MAPTKDM4EHTT
SCHEMBL792383 0.76 HRH3 (0.46) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL792292 0.73 ALDH1A1 (0.38) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL13950185 0.71 ALDH1A1 (0.39) PRKDCALDH1A1LMNAMAPTKDM4E

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 7 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 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 PRKDC 1741/4885NPC1 1268/4885ALDH1A1 596/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI PRKDC 1741/4885NPC1 1268/4885ALDH1A1 596/4885

“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.