SCHEMBL21367549

SCHEMBL21367549

CNNC(=O)Cn1cnc2ncn(C)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 13/20 0.38
KDM4E B2RXH2 1/20 0.38
ADORA2B P29275 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL20187520 0.84 KDM4E (0.46) MEN1KMT2ATRPA1KDM4EADORA2B
SCHEMBL18704122 0.81 ADORA2B (0.52) TRPA1ADORA2B
SCHEMBL18704017 0.80 SMN1; SMN2 (0.56) KMT2ATRPA1KDM4EADORA2BRXFP1
Hydrochloric Acid SCHEMBL18742217 0.80 ADORA2B (0.51) TRPA1ADORA2B
SCHEMBL22210245 0.77 TRPA1 (0.38) TRPA1
SCHEMBL20203276 0.76 TRPA1 (0.41) TRPA1
SCHEMBL21367675 0.76 TRPA1 (0.58) MEN1KMT2ATRPA1KDM4EALDH1A1
SCHEMBL20203241 0.72 RXFP1 (0.39) TRPA1ADORA2BRXFP1
SCHEMBL20203174 0.69 ADORA2A (0.48) TRPA1ADORA2BALDH1A1
SCHEMBL23246540 0.69 ADORA2B (0.52) MEN1KMT2ATRPA1ADORA2BALDH1A1

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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 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 (2 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-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 MEN1 4587/4885KMT2A 4562/4885TRPA1 1/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 MEN1 4587/4885KMT2A 4562/4885TRPA1 1/4885

“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.