SCHEMBL13879564

SCHEMBL13879564

O=C1NC(Cc2ccc(F)cc2)C(=O)N1c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
TNF P01375 1/20 0.47
PARP1 P09874 2/20 0.44
GAA P10253 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
ROCK2 O75116 1/20 0.42
POLB P06746 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL13879403 0.87 GAA (0.56) PARP1GAACYP1A2CYP3A4CYP2C19
SCHEMBL13879575 0.82 KDM4E (0.42) PARP1GAACYP1A2CYP3A4CYP2C19
SCHEMBL13879558 0.82 NPSR1 (0.46) NPSR1PARP1GAACYP1A2CYP3A4
SCHEMBL13879495 0.78 GAA (0.45) NPSR1TNFGAACYP1A2CYP3A4
SCHEMBL13879432 0.78 RGS4 (0.45) NPSR1TNFPARP1GAACYP1A2
SCHEMBL10387768 0.76 PARP1 (0.59) NPSR1PARP1GAACYP1A2CYP3A4
SCHEMBL13879459 0.76 ALDH1A1 (0.61) GAACYP1A2CYP3A4CYP2C19POLB
SCHEMBL13879370 0.74 NPSR1 (0.45) NPSR1TNFPARP1GAACYP1A2
SCHEMBL13879477 0.73 RIPK1 (0.37) NPSR1TNFROCK2MGLL
SCHEMBL13879413 0.73 MGLL (0.41) CYP1A2CYP3A4CYP2C19MAPK1MGLL

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-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

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 4621/4885TNF 1854/4885PARP1 1220/4885

“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.