SCHEMBL21363382

SCHEMBL21363382

CCn1cnc2nc(NCc3ccccn3)n(C)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.53
ALDH1A1 P00352 7/20 0.47
MAOB P27338 2/20 0.47
KDM4E B2RXH2 6/20 0.45
ALOX15 P16050 3/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 3/20 0.43
ATAD2 Q6PL18 1/20 0.43
PKM P14618 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SUMO3 P55854 1/20 0.41
SUMO2 P61956 1/20 0.41
SUMO1 P63165 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL21363368 0.83 TRPA1 (0.46) TRPA1ALDH1A1MAOBKDM4EALOX15
SCHEMBL26155912 0.77 RECQL (0.46) TRPA1ALDH1A1MAOBKDM4EALOX15
SCHEMBL25165801 0.77 PDE4A (0.46) TRPA1
SCHEMBL13217851 0.71 DPP4 (0.44) TRPA1ALDH1A1MAOBKDM4EALOX15
SCHEMBL23718338 0.69 PDE4A (0.44) RAB9ALMNA
SCHEMBL25165796 0.69 TRPA1 (0.42) TRPA1MAPTRAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9381621 0.67 ATAD2 (0.46) ALDH1A1MAOBKDM4EALOX15HTT
SCHEMBL9382184 0.67 ATAD2 (0.46) ALDH1A1MAOBKDM4EALOX15HTT
SCHEMBL21363508 0.64 TRPA1 (0.39) TRPA1ALDH1A1MAOBHTTTSHR
SCHEMBL31123004 0.64 PDE4A (0.49) TRPA1ALDH1A1NPC1RAB9ASMN1; 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-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 1/4885ALDH1A1 721/4885MAOB 1869/4885
US-10710994-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 TRPA1 1/4885ALDH1A1 721/4885MAOB 1869/4885

“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.