SCHEMBL2352873

SCHEMBL2352873

CNC(=O)c1cc(OC)c(C(C)(C)C)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
PLK1 P53350 1/20 0.41
NR1H4 Q96RI1 2/20 0.40
EPHX2 P34913 1/20 0.40
FABP4 P15090 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2362879 0.84 LCK (0.49) LCKFYNCYP3A4LMNAHPGD
SCHEMBL17602018 0.84 LCK (0.65) LCKFYNCYP3A4LMNAHPGD
SCHEMBL2352384 0.83 LCK (0.69) LCKFYNCYP3A4LMNAHPGD
SCHEMBL31649971 0.78 LCK (0.49) LCKFYNLMNAHPGDPLK1
SCHEMBL25623953 0.78 PLK1 (0.45) CYP3A4LMNAHPGDTP53ALOX15
SCHEMBL2360957 0.73 LCK (0.59) LCKFYNCYP3A4LMNAALDH1A1
SCHEMBL13169383 0.73 LMNA (0.53) CYP3A4LMNAHPGDTP53ALOX15
SCHEMBL22323973 0.72 KDM4E (0.51) LCKFYNCYP3A4LMNAHPGD
SCHEMBL25950796 0.72 RARA (0.53) CYP3A4HPGDTP53ALOX15PLK1
SCHEMBL25627617 0.72 NR1H4 (0.42) LMNAHPGDPLK1NR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232271-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-07-31 US disclosed
EP-2350007-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-05-06 US disclosed
WO-2010049331-A1 HETEROCYCLIC ANTIVIRAL ARYLPYRIDONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 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-20100111900-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B LCK 4488/4885FYN 4253/4885CYP3A4 423/4885

“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.