SCHEMBL9948040

SCHEMBL9948040

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 11/20 0.42
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
PIM1 P11309 1/20 0.34
ABCB1 P08183 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
PRNP P04156 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34

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
SCHEMBL1918655 0.89 ANO1 (0.44) ANO1KDM4ERAB9AMEN1ALDH1A1
SCHEMBL243503 0.84 KCNH2 (0.50)
SCHEMBL9948375 0.81 MEN1 (0.51) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL14217294 0.76 ABCB1 (0.43) ANO1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL14710224 0.75 ANO1 (0.56) ANO1KDM4ERAB9AMEN1ALDH1A1
SCHEMBL27920475 0.73 RAB9A (0.60) ANO1KDM4ERAB9AMEN1ALDH1A1
SCHEMBL1918982 0.73 KCNH2 (0.52)
SCHEMBL17464346 0.73 KCNH2 (0.53) KDM4EALDH1A1HSD17B10
SCHEMBL14709425 0.72 ANO1 (0.47) ANO1KDM4ERAB9AMEN1ALDH1A1
SCHEMBL27822382 0.71 ABCB1 (0.41) ANO1KDM4ERAB9AMEN1ALDH1A1

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 ANO1 1786/4885KDM4E 4218/4885RAB9A 2224/4885

“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.