SCHEMBL3242864

SCHEMBL3242864

O=Cc1ccccc1-c1[nH]c2cc(C(=O)O)ccc2c1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.45
KMO O15229 1/20 0.39
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
MPL P40238 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
KCNH2 Q12809 2/20 0.34
CSNK2A1 P68400 1/20 0.34
CCR3 P51677 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL3361180 0.91 PARP1 (0.44) PARP1KMOPRKCAMMP12MPL
SCHEMBL14263699 0.89 PARP1 (0.33) PARP1PRKCAMMP12CCNB2CDK1
SCHEMBL3247853 0.88 PARP1 (0.49) PARP1CCNB2CDK1CCNB1GSK3B
SCHEMBL13841694 0.85 PARP1 (0.38) PARP1PRKCAMMP12CCNB2CDK1
SCHEMBL50849 0.84 MAPKAPK2 (0.40) PARP1KDM4ESMN1; SMN2
SCHEMBL1173816 0.83 PARP1 (0.52) PARP1KMOHTR2AHTR2CKCNH2
SCHEMBL4823289 0.82 NR1I2 (0.46) KCNH2
SCHEMBL3242862 0.80 TRIM24 (0.46) PARP1KMOHTR2AHTR2CKCNH2
SCHEMBL2276592 0.79 PARP1 (0.44) PARP1CCNB2CDK1CCNB1GSK3B
SCHEMBL3088394 0.79 PARP1 (0.48) PARP1CCNB2CDK1CCNB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS PARP1 3234/4885KMO 1788/4885PRKCA 3901/4885

“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.