SCHEMBL13879573

SCHEMBL13879573

O=C1NC(Cc2ccc(O)cc2)C(=O)N1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.78
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.51
TAS2R8 Q9NYW2 4/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MMP2 P08253 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.43
NR1H3 Q13133 1/20 0.43

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
SCHEMBL11398860 0.89 GAA (0.74) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8291275 0.87 GAA (1.00) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL13879567 0.86 GAA (0.59) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL13879489 0.85 GAA (0.58) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL13879582 0.82 GAA (0.56) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL13879423 0.82 GAA (0.56) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL13879403 0.81 GAA (0.56) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL13879474 0.80 MAPT (0.57) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL18399897 0.80 GAA (0.59) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8819321 0.79 ALDH1A1 (0.78) GAACYP1A2CYP3A4CYP2C19ALDH1A1

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
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 GAA 463/4885CYP1A2 1454/4885CYP3A4 1385/4885

“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.