SCHEMBL4823391

SCHEMBL4823391

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccnc3OCc3ccccc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
CNR1 P21554 3/20 0.44
PARP1 P09874 2/20 0.42
KIF11 P52732 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GSK3B P49841 1/20 0.39
PPIA P62937 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DYRK1A Q13627 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1954431 0.88 PARP1 (0.45) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL14263637 0.87 PARP1 (0.41) PARP1KIF11GSK3BALDH1A1DYRK1A
SCHEMBL27693447 0.85 CNR2 (0.43) CNR2CNR1HDAC1HDAC8HDAC6
SCHEMBL27693446 0.85 CNR2 (0.42) CNR2CNR1PARP1ALDH1A1HPGD
SCHEMBL2280142 0.85 PARP1 (0.42) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL10293503 0.83 PARP1 (0.45) CNR1PARP1KIF11HDAC1HDAC8
SCHEMBL772338 0.83 LNPEP (0.42) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL1952762 0.83 PAX8 (0.44) PARP1KIF11HDAC1HDAC8HDAC6
SCHEMBL4825608 0.81 PARP1 (0.43) PARP1KIF11GSK3BALDH1A1DYRK1A
SCHEMBL4823115 0.81 PARP1 (0.40) CNR2PARP1KIF11HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 CNR2 1457/4885CNR1 552/4885PARP1 1367/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 CNR2 1457/4885CNR1 552/4885PARP1 1367/4885

“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.