SCHEMBL1983140

SCHEMBL1983140

COc1ccc(-c2ccc(Br)cc2)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
ERN1 O75460 4/20 0.51
ALDH1A1 P00352 4/20 0.49
TRIM24 O15164 1/20 0.47
TYR P14679 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL7608939 0.90 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL3143110 0.84 HDAC3 (0.49) HDAC3HDAC1HDAC8ERN1KDM4E
SCHEMBL14642539 0.84 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL5515488 0.84 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28517488 0.83 ERN1 (0.54) HDAC3HDAC1HDAC8ERN1ALDH1A1
SCHEMBL7841224 0.83 ERN1 (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL23191292 0.82 GSTP1 (0.62) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL19854388 0.81 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL18717026 0.81 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL8918235 0.81 ERN1 (0.49) ERN1ALDH1A1TRIM24TYRTRIM33

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
US-8563505-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-22 US disclosed
US-8563505-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-22 US disclosed
US-8563505-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-22 US disclosed
EP-2337784-B1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 EP disclosed
EP-2337784-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-29 EP disclosed
US-20100080771-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080771-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080771-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
WO-2010036871-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036871-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO 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-20100080771-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL HDAC3 1727/4885HDAC1 1626/4885HDAC8 2044/4885

“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.