SCHEMBL13879558

SCHEMBL13879558

COc1ccccc1N1C(=O)NC(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
MGLL Q99685 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 1/20 0.42
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR7 P34969 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL13879543 0.89 GAA (0.53) MGLLMEN1KMT2AGAACYP1A2
SCHEMBL13879505 0.84 HCRTR1 (0.44) MGLLMEN1KMT2A
SCHEMBL13879564 0.82 NPSR1 (0.47) NPSR1MGLLMAPK1PARP1GAA
SCHEMBL13879453 0.79 ALDH1A1 (0.47) NPSR1MAPK1MEN1KMT2ACYP3A4
SCHEMBL13879472 0.78 GAA (0.48) NPSR1MGLLGAACYP1A2CYP3A4
SCHEMBL13879437 0.77 MGLL (0.47) MGLLMAPK1MEN1KMT2AL3MBTL1
SCHEMBL13879561 0.76 MGLL (0.41) NPSR1MGLLMEN1KMT2AGAA
SCHEMBL13879541 0.75 NPSR1 (0.61) NPSR1MEN1KMT2AL3MBTL1GAA
SCHEMBL10387768 0.74 PARP1 (0.59) NPSR1PARP1GAACYP1A2CYP3A4
SCHEMBL13879395 0.74 MGLL (0.56) MGLLMAPK1MEN1KMT2AL3MBTL1

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 NPSR1 4621/4885MGLL 2140/4885MAPK1 2505/4885

“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.