SCHEMBL18655891

SCHEMBL18655891

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CHEK1 O14757 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CNR2 P34972 1/20 0.31
EP300 Q09472 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE1C Q14123 2/20 0.31
PDE3A Q14432 2/20 0.31
PDE5A O76074 1/20 0.30

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
SCHEMBL18632540 0.77 CNR1 (0.36) PRMT5WDR77CNR2PDE5A
SCHEMBL18632543 0.71 PDE1A (0.38) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL16324213 0.65 MAOA (0.43) PRMT5WDR77PARP15PARP10CNR2
SCHEMBL15886682 0.60 CHEK1 (0.49) CHEK1PDE1APDE1BPDE3BPDE1C
SCHEMBL23087826 0.59 PRMT5 (0.43) PRMT5WDR77CNR2
SCHEMBL15553098 0.56 EP300 (0.37) EP300
SCHEMBL19963006 0.56 EP300 (0.41) CNR2EP300KDM1A
SCHEMBL10187301 0.56 EP300 (0.41) PARP15PARP10CNR2EP300KDM1A
SCHEMBL18655892 0.56 CNR2 (0.46) CNR2EP300KDM1A
SCHEMBL30785769 0.56 CNR2 (0.60) CNR2

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
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 PRMT5 2870/4885WDR77 2667/4885CHEK1 1722/4885

“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.