SCHEMBL21363586

SCHEMBL21363586

CC(C)n1nc(C(N)=O)c2ncn(C)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
F10 P00742 2/20 0.34
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
ADORA2B P29275 3/20 0.33
POLB P06746 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PIK3CD O00329 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
NTSR1 P30989 1/20 0.33
MC3R P41968 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL21363698 0.78 LMNA (0.40) TRPA1F10MEN1PABPC1KMT2A
SCHEMBL21363591 0.73 TRPA1 (0.39) TRPA1F10KMT2AMAPTADORA2B
SCHEMBL26155935 0.70 GDA (0.41) TRPA1MEN1PABPC1KMT2AMAPT
SCHEMBL6883899 0.64 MEN1 (0.44) HTTMEN1PABPC1KMT2AMAPT
SCHEMBL31324999 0.64 LMNA (0.39) TRPA1ADORA2BLMNA
SCHEMBL21367817 0.64 ADORA2A (0.38) TRPA1MAPTADORA2BPOLBADORA2A
SCHEMBL15592685 0.62 LMNA (0.51) HTTMEN1PABPC1KMT2AADORA2B
SCHEMBL21363593 0.62 TRPA1 (0.43) TRPA1F10ADORA2BADORA2APDE4A
SCHEMBL15661293 0.62 ADORA1 (0.56) MEN1PABPC1KMT2AADORA2AADORA1
SCHEMBL11546917 0.61 ALDH1A1 (0.46) HTTMEN1PABPC1KMT2AMAPT

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-10710994-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 US disclosed
US-20190284179-A1 OXADIAZOLE 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-20190284179-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 TRPA1 1/4885F10 2510/4885HTT 1243/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885F10 2510/4885HTT 1243/4885

“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.