SCHEMBL12723933

SCHEMBL12723933

CCOP(=O)(OCC)c1cc(C(F)(F)F)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.40
CFTR P13569 1/20 0.40
GAA P10253 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PKM P14618 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
SCHEMBL12723907 0.80 POLB (0.43) LMNAL3MBTL1MAPTATMPOLB
SCHEMBL1629451 0.79 POLB (0.45) LMNAL3MBTL1MAPTATMPOLB
SCHEMBL2720324 0.78 POLB (0.44) L3MBTL1MAPTPOLBNPSR1MEN1
SCHEMBL1631353 0.78 POLB (0.44) L3MBTL1MAPTPOLBGAAMEN1
SCHEMBL25027029 0.77 ALDH1A1 (0.43) LMNAL3MBTL1MAPTATMCFTR
SCHEMBL30446903 0.77 ALDH1A1 (0.43) LMNAL3MBTL1MAPTATMCFTR
SCHEMBL12762217 0.77 POLB (0.51) L3MBTL1MAPTPOLBGAANPSR1
SCHEMBL3242752 0.76 POLB (0.43) LMNAL3MBTL1MAPTPOLBGAA
SCHEMBL1629971 0.76 POLB (0.43) LMNAL3MBTL1MAPTPOLBNPSR1
SCHEMBL2958029 0.74 TDP1 (0.40) LMNAMAPTGAANPSR1MEN1

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-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H LMNA 3396/4885L3MBTL1 4147/4885MAPT 4232/4885

“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.