SCHEMBL18632518

SCHEMBL18632518

O=c1[nH]nc2ccc(Oc3ccccc3)cn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.51
IDH1 O75874 1/20 0.45
NOTUM Q6P988 2/20 0.43
NTRK1 P04629 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
AADAT Q8N5Z0 1/20 0.41
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
RPS6KA3 P51812 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
SCHEMBL21477183 0.77 SCN5A (0.45) SCN5ANOTUMMAOAMAOBRET
SCHEMBL18632530 0.76 SCN5A (0.62) SCN5AIDH1NOTUMFGFR1RET
SCHEMBL21464279 0.73 L3MBTL1 (0.43) SCN5AMGLLMEN1KMT2ANPC1
SCHEMBL18632538 0.71 SCN5A (0.57) SCN5AIDH1NOTUMFGFR1RET
SCHEMBL20772490 0.69 SCN5A (0.51) SCN5ANOTUMRETMETLTK
SCHEMBL252266 0.69 SCN5A (0.48) SCN5ANOTUMMEN1KMT2ARET
SCHEMBL18632543 0.69 PDE1A (0.38) SCN5ANOTUMNTRK1IGF1RFGFR1
SCHEMBL103370 0.69 LTK (0.50) SCN5ANOTUMMEN1KMT2ARET
SCHEMBL18642511 0.68 LTK (0.57) AADATKMT2ARETMETLTK
SCHEMBL11075249 0.67 LTK (0.49) SCN5ANOTUMMEN1KMT2ARET

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
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
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

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 1311/4885IDH1 1128/4885NOTUM 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.