SCHEMBL423109

SCHEMBL423109

CC(=O)Nc1ccc(N2CCOCC2)c(COC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 4/20 0.49
POLB P06746 4/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 6/20 0.46
MAPK1 P28482 2/20 0.46
MOK Q9UQ07 1/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.46
CASP6 P55212 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL792380 0.89 ALDH1A1 (0.54) ALDH1A1HTTKDM4ELMNAPOLB
SCHEMBL8253702 0.84 ALDH1A1 (0.56) ALDH1A1HTTKDM4ELMNAPOLB
SCHEMBL2010279 0.78 ALDH1A1 (0.60) ALDH1A1HTTKDM4ELMNAPOLB
SCHEMBL29769098 0.78 ALDH1A1 (0.63) ALDH1A1HTTKDM4ELMNAPOLB
SCHEMBL29769157 0.78 RAB9A (0.70) ALDH1A1HTTKDM4ELMNAPOLB
SCHEMBL10252453 0.78 KDM4E (0.53) ALDH1A1HTTKDM4ELMNAHPGD
SCHEMBL428806 0.78 PRKDC (0.40) ALDH1A1HTTKDM4ELMNAKMT2A
Trifluoroacetic Acid SCHEMBL2854628 0.77 ALDH1A1 (0.52) ALDH1A1HTTKDM4ELMNAPOLB
SCHEMBL20922083 0.77 HTT (0.66) ALDH1A1HTTKDM4ELMNAPOLB
SCHEMBL17478627 0.76 KDM4E (0.67) ALDH1A1HTTKDM4EHPGDRAB9A

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 ALDH1A1 596/4885HTT 3457/4885KDM4E 1520/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885HTT 3457/4885KDM4E 1520/4885

“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.