SCHEMBL9948375

SCHEMBL9948375

CCOC(=O)c1c(-c2ccc(Br)cc2)oc2ccc(O)c(F)c12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
PRNP P04156 1/20 0.51
ALOX5 P09917 5/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL253511 0.91 GAA (0.53) MEN1KMT2APRNPALOX5MAPT
SCHEMBL9948040 0.81 ANO1 (0.42) MEN1KMT2APRNPMAPTALDH1A1
SCHEMBL24470880 0.80 TSHR (0.64) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL29630224 0.80 TSHR (0.64) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL14711743 0.80 ALOX5 (0.52) MEN1KMT2APRNPALOX5MAPT
SCHEMBL243503 0.80 KCNH2 (0.50)
SCHEMBL14710741 0.79 MAPT (0.64) MEN1KMT2APRNPALOX5MAPT
SCHEMBL3541034 0.79 MEN1 (0.65) MEN1KMT2APRNPALOX5MAPT
SCHEMBL245269 0.78 ALOX5 (0.79) MEN1KMT2APRNPALOX5MAPT
SCHEMBL14709428 0.77 MEN1 (0.56) MEN1KMT2APRNPALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588464-B1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITS C BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
US-8445497-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-20120165344-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-06-28 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-20120165344-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 MEN1 4676/4885KMT2A 4624/4885PRNP 2520/4885

“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.