SCHEMBL12394304

SCHEMBL12394304

CCOC(=O)c1ccc(-c2cc(NC(=O)C3CCN3C)ccc2OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 2/20 0.44
EPHX2 P34913 1/20 0.44
NPC1 O15118 2/20 0.43
ABL1 P00519 4/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
BCL9 O00512 2/20 0.41
CTNNB1 P35222 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12394319 0.88 BCL9 (0.47) EPHX2ABL1BCL9CTNNB1
SCHEMBL2344552 0.87 NPC1 (0.48) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2344558 0.87 NPC1 (0.48) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3915915 0.79 EPHX2 (0.60) RAB9AALDH1A1SMN1; SMN2HTTGAA
SCHEMBL2343259 0.78 PDK1 (0.49) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL12394308 0.78 ABL1 (0.43) RAB9AALDH1A1SMN1; SMN2LMNAABL1
SCHEMBL2348359 0.75 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL2350699 0.74 NPC1 (0.52) RAB9AKMT2ALMNANPC1ABL1
SCHEMBL2350693 0.74 NPC1 (0.52) RAB9AKMT2ALMNANPC1ABL1
SCHEMBL12394311 0.73 CYP1A2 (0.55) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008303-B2 e.g. 6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-bromo-phenyl)-amide]-[(4 morpholin-4-yl-phenyl)-amide]; viricide; with other active viricide such as interferon or ribavirin ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C ARROW THERAPEUTICS LIMITED (GB) 2008-10-16 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-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C NR4A1, NR0B1, NR1H4 RAB9A 1870/4885ALDH1A1 441/4885SMN1; SMN2 2314/4885

“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.