SCHEMBL18632540

SCHEMBL18632540

O=c1[nH]nc2ccc(-c3ccccc3Cl)c(OCC3CC3)n12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
CDK2 P24941 2/20 0.35
CCNA2 P20248 1/20 0.35
NOTUM Q6P988 3/20 0.34
PDE4A P27815 3/20 0.34
PTGIR P43119 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
PDE2A O00408 1/20 0.33
ITGA4 P13612 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA2 P47869 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL18632539 0.85 EP300 (0.37) PRMT5WDR77CHRM2CHRM1CHRM3
SCHEMBL18632529 0.78 NOTUM (0.38) CNR1CDK2NOTUMCCNE2CCNE1
SCHEMBL18655891 0.77 PRMT5 (0.34) PRMT5WDR77CNR2PDE5A
SCHEMBL18664225 0.69 HRH3 (0.39) CNR1CDK2CCNA2PDE4APDE2A
SCHEMBL16324213 0.63 MAOA (0.43) PRMT5WDR77HRH3CNR2PDE5A
SCHEMBL3990365 0.61 RXFP1 (0.48) NOTUMMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL18632513 0.61 SCN5A (0.49) CNR1CDK2NOTUMCCNE2CCNE1
SCHEMBL5475521 0.61 CHEK1 (0.52) NOTUM
SCHEMBL18655890 0.60 CHEK1 (0.34) PDE5A
SCHEMBL14364364 0.60 RIPK1 (0.44) CNR1PDE4AL3MBTL1PDE5APDE4B

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
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
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 CNR1 4270/4885CDK2 1378/4885CCNA2 3907/4885

“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.