SCHEMBL10201494

SCHEMBL10201494

C[C@H]1C[C@@H](c2nc3cc(Br)ccc3[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
USP30 Q70CQ3 3/20 0.39
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
CDK1 P06493 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL12332888 0.92 HCRTR1 (0.38) PARP1USP30HCRTR1HCRTR2CYP2C9
SCHEMBL15746340 0.92 HCRTR1 (0.44) PARP1USP30HCRTR1HCRTR2HTT
SCHEMBL15586287 0.92 HCRTR1 (0.44) PARP1USP30HCRTR1HCRTR2HTT
SCHEMBL14841827 0.88 PARP1 (0.37) PARP1HCRTR1HCRTR2CYP2C9KCNH2
SCHEMBL12333084 0.88 PARP1 (0.37) PARP1HCRTR1HCRTR2CYP2C9KCNH2
SCHEMBL2386860 0.88 PARP1 (0.37) PARP1HCRTR1HCRTR2CYP2C9KCNH2
SCHEMBL15346397 0.86 PARP1 (0.43) PARP1USP30HCRTR1HCRTR2CDK1
SCHEMBL10201762 0.84 USP30 (0.36) PARP1USP30HCRTR1HCRTR2CDK1
SCHEMBL1982286 0.84 HCRTR1 (0.49) USP30HCRTR1HCRTR2KMT2A
SCHEMBL29724469 0.84 HCRTR1 (0.49) USP30HCRTR1HCRTR2KMT2A

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 PARP1 3489/4885USP30 2534/4885HCRTR1 4453/4885

“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.