SCHEMBL3754518

SCHEMBL3754518

N/C(=N\O)c1cccc(Cn2cncn2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
CYP19A1 P11511 12/20 0.55
STS P08842 2/20 0.46
KDM1A O60341 1/20 0.41

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
SCHEMBL3460275 1.00 HDAC1 (0.64) HDAC1HDAC6CYP19A1STSKDM1A
SCHEMBL3456276 0.88 HDAC1 (0.55) HDAC1HDAC6CYP19A1STS
SCHEMBL20395027 0.83 HDAC1 (0.57) HDAC1HDAC6CYP19A1
SCHEMBL774512 0.83 HDAC1 (0.57) HDAC1HDAC6CYP19A1
SCHEMBL3639750 0.79 HDAC1 (0.73) HDAC1HDAC6CYP19A1STS
SCHEMBL5479754 0.78 HDAC1 (0.71) HDAC1HDAC6CYP19A1STS
SCHEMBL3460274 0.76 HDAC1 (0.72) HDAC1HDAC6CYP19A1STS
SCHEMBL3457021 0.76 CYP19A1 (0.62) CYP19A1
SCHEMBL3754570 0.76 CYP19A1 (0.62) CYP19A1
SCHEMBL19599019 0.75 CYP19A1 (0.65) HDAC1HDAC6CYP19A1STS

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 HDAC1 38/4885HDAC6 218/4885CYP19A1 1163/4885

“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.