SCHEMBL2050433

SCHEMBL2050433

CN(C)c1cc2ccc(Br)cc2cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 3/20 0.41
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CHEK1 O14757 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM1A O60341 1/20 0.34
POLB P06746 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL2053940 0.80 TLR8 (0.36) NCEH1SLC6A4CYP2A6LMNAL3MBTL1
SCHEMBL2045719 0.73 PDE4A (0.59) LMNAL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL27845619 0.71 POLB (0.43) NCEH1CYP2A6LMNAKDM4EALDH1A1
SCHEMBL2048237 0.70 CYP2A6 (0.38) NCEH1CYP2A6LMNAL3MBTL1KDM4E
SCHEMBL2042638 0.70 NCEH1 (0.41) NCEH1CYP2A6LMNAL3MBTL1KDM4E
SCHEMBL21177046 0.70 MEN1 (0.46) NCEH1CYP2A6LMNAL3MBTL1KDM4E
SCHEMBL29452878 0.70 MEN1 (0.46) NCEH1CYP2A6LMNAL3MBTL1KDM4E
SCHEMBL2046488 0.69 NCEH1 (0.47) NCEH1SLC6A2SLC6A4LMNAL3MBTL1
SCHEMBL1133989 0.66 CYP2A6 (0.50) NCEH1SLC6A2SLC6A4CYP2A6LMNA
SCHEMBL30350940 0.66 CYP2A6 (0.50) NCEH1SLC6A2SLC6A4CYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
CN-102227435-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-10-26 CN disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL NCEH1 526/4885SLC6A2 3827/4885SLC6A4 3972/4885

“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.