SCHEMBL1496436

SCHEMBL1496436

COc1cc(C#N)cc(N)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 3/20 0.38
HPGDS O60760 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
S100B P04271 1/20 0.37
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 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
SCHEMBL6644614 0.86 AR (0.49) ARALDH1A1KDM4EUSP2HPGDS
SCHEMBL1116020 0.82 ALDH1A1 (0.43) ARALDH1A1KDM4EUSP2CYP3A4
SCHEMBL7742105 0.81 TTR (0.41) ALDH1A1KDM4ECYP3A4TSHRGAA
SCHEMBL7927109 0.79 ALDH1A1 (0.47) ARALDH1A1KDM4EUSP2CYP3A4
SCHEMBL23653149 0.79 ALDH1A1 (0.41) ARALDH1A1KDM4EUSP2CYP3A4
SCHEMBL17744575 0.79 TTR (0.44) ARALDH1A1KDM4EUSP2CYP3A4
SCHEMBL22443104 0.77 AR (0.45) ARALDH1A1KDM4EUSP2CYP3A4
SCHEMBL29559790 0.76 ALDH1A1 (0.57) ARALDH1A1KDM4EUSP2CYP3A4
SCHEMBL220780 0.76 ALDH1A1 (0.57) ARALDH1A1KDM4EUSP2CYP3A4
SCHEMBL21865970 0.75 TTR (0.37) ALDH1A1KDM4ECYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483290-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2012-08-08 EP disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO 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 (1 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 AR 4393/4885ALDH1A1 1769/4885KDM4E 457/4885

“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.