SCHEMBL3247052

SCHEMBL3247052

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OC)cc3C=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
JAK2 O60674 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 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
SCHEMBL50849 0.92 MAPKAPK2 (0.40) PARP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL54971 0.91 ALDH1A1 (0.35) PARP1KIF11ALDH1A1SMN1; SMN2MEN1
SCHEMBL2279943 0.89 PARP1 (0.45) PARP1KIF11ALDH1A1SMN1; SMN2MEN1
SCHEMBL3247853 0.88 PARP1 (0.49) PARP1KIF11ALDH1A1SMN1; SMN2MEN1
SCHEMBL18661472 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL50557 0.86 NR1I2 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18661422 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL2272736 0.84 PARP1 (0.43) PARP1KIF11ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5443018 0.83 PARP1 (0.47) PARP1KIF11ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2276592 0.83 PARP1 (0.44) PARP1KIF11ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987038-B1 HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-10-06 EP disclosed
EP-2029606-B1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-05-26 EP disclosed
EP-2029606-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS Brystol-Myers Squibb Company (US) 2009-03-04 EP disclosed
US-7456167-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456165-B2 HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1987038-A2 HCV NS5B INHIBITORS Bristol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2007140254-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
WO-2007092888-A2 HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-20070185083-A1 HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (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-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS PARP1 3234/4885KIF11 4447/4885ALDH1A1 1119/4885
US-20070185083-A1 HCV NS5B Inhibitors EIF2AK2, HAVCR2, EIF5B PARP1 3298/4885KIF11 4184/4885ALDH1A1 1207/4885

“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.