SCHEMBL18632534

SCHEMBL18632534

O=c1[nH]nc2ccc(-c3cccc(F)c3)cn12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.54
PDPK1 O15530 1/20 0.46
NOTUM Q6P988 2/20 0.45
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
PGR P06401 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GRM2 Q14416 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ESR2 Q92731 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
SLC2A1 P11166 1/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38

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
SCHEMBL18632526 0.89 SCN5A (0.47) SCN5APDPK1NOTUMPGRRXFP1
SCHEMBL18632523 0.86 SCN5A (0.52) SCN5APDPK1NOTUMMKNK1MKNK2
SCHEMBL18632538 0.85 SCN5A (0.57) SCN5APDPK1NOTUMGRM2
SCHEMBL18632525 0.83 SCN5A (0.51) SCN5APDPK1NOTUMMKNK1MKNK2
SCHEMBL253974 0.82 SCN5A (0.57) SCN5APDPK1NOTUMMKNK1MKNK2
SCHEMBL18632535 0.82 SCN5A (0.62) SCN5APDPK1NOTUMGRM2SLC2A1
SCHEMBL18632530 0.82 SCN5A (0.62) SCN5APDPK1NOTUMGRM2SLC2A1
SCHEMBL20772490 0.76 SCN5A (0.51) SCN5ANOTUMGRM2
SCHEMBL253820 0.76 SCN5A (0.67) SCN5APDPK1NOTUMGRM2
SCHEMBL18632514 0.76 SCN5A (0.50) SCN5APDPK1NOTUMPGRGRM2

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-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
WO-2017046318-A1 TRIAZOLONES DERIVATIVES FOR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-03-23 WO disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 US disclosed
US-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-03-23 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-20170081323-A1 Triazolones derivatives for use in the treatment, amelioration or prevention of a viral disease OAT, XDH, MAPT SCN5A 1311/4885PDPK1 2343/4885NOTUM 541/4885

“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.