SCHEMBL10201762

SCHEMBL10201762

C[C@H]1C[C@@H](c2nc3ccc4cc(Br)ccc4c3[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.36
PARP1 P09874 1/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
CDK1 P06493 2/20 0.33
BACE1 P56817 1/20 0.33
MAP4K4 O95819 1/20 0.33
CCNB2 O95067 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL12327662 0.90 CFD (0.36) USP30PARP1NR1H2NR1H3ABL1
SCHEMBL6122060 0.89 PARP1 (0.34) USP30PARP1NR1H2NR1H3ABL1
SCHEMBL6126382 0.89 PARP1 (0.34) USP30PARP1NR1H2NR1H3ABL1
SCHEMBL6121839 0.88 PARP1 (0.33) USP30PARP1NR1H2NR1H3ABL1
SCHEMBL6126361 0.88 PARP1 (0.33) USP30PARP1NR1H2NR1H3ABL1
SCHEMBL6121834 0.88 PARP1 (0.33) USP30PARP1NR1H2NR1H3ABL1
SCHEMBL10201148 0.87 GABRG2 (0.35) PARP1MAP4K4MEN1KMT2ACYP2C9
SCHEMBL15586287 0.86 HCRTR1 (0.44) USP30PARP1HCRTR1HCRTR2BACE1
SCHEMBL15746340 0.86 HCRTR1 (0.44) USP30PARP1HCRTR1HCRTR2BACE1
SCHEMBL15346397 0.85 PARP1 (0.43) USP30PARP1ABL1BCRHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885PARP1 3489/4885NR1H2 156/4885

“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.