SCHEMBL19348013

SCHEMBL19348013

O=C(O)C(N=C(c1ccccc1)c1ccccc1)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
OPRM1 P35372 4/20 0.42
ACP3 P15309 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
DHODH Q02127 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 2/20 0.34

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
SCHEMBL9243396 0.83 MEN1 (0.41) HTTOPRM1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9568027 0.75 TRPM8 (0.46) HTTTRPM8
SCHEMBL27129419 0.74 ALDH1A1 (0.38) HTTTSHRNPSR1L3MBTL1SLC6A3
SCHEMBL26984334 0.74 ALDH1A1 (0.38) HTTTSHRNPSR1L3MBTL1SLC6A3
SCHEMBL10739890 0.74 ACP3 (0.47) HTTOPRM1ACP3TSHRNPSR1
SCHEMBL9568023 0.73 TRPM8 (0.48) HTTTSHRTRPM8L3MBTL1DHODH
SCHEMBL9241163 0.71 HTR2A (0.44) HTTACP3TSHRNPSR1HTR2C
SCHEMBL7566016 0.71 HTR2A (0.44) HTTACP3TSHRNPSR1HTR2C
SCHEMBL9242330 0.71 HTR2A (0.44) HTTACP3TSHRNPSR1HTR2C
SCHEMBL31757646 0.71 MEN1 (0.39) TSHRL3MBTL1SLC6A3ALDH1A1SMN1; SMN2

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-9988390-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2018-06-05 US disclosed
US-20170267680-A1 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease HOFFMANN LA ROCHE (CH) 2017-09-21 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-20170267680-A1 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease XDH, HPRT1, IMPDH1 HTT 1950/4885OPRM1 614/4885ACP3 1816/4885

“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.