SCHEMBL21393345

SCHEMBL21393345

Cn1c(NC2COC2)nc2nc[nH]c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
POLB P06746 1/20 0.38
KAT2B Q92831 3/20 0.34
ALDH1A1 P00352 1/20 0.33
SYK P43405 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ADORA2A P29274 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
XDH P47989 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PAK1 Q13153 1/20 0.31
GDA Q9Y2T3 1/20 0.31

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
SCHEMBL21393417 0.78 TRPA1 (0.47) TRPA1SYK
SCHEMBL21393574 0.78 POLB (0.41) POLBALDH1A1LMNATSHRADORA2A
SCHEMBL21363533 0.75 TRPA1 (0.47) TRPA1KAT2BSYKADORA2AMKNK1
SCHEMBL21393418 0.74 SMN1; SMN2 (0.40) TRPA1POLBALDH1A1LMNATSHR
SCHEMBL21363489 0.74 TRPA1 (0.44) TRPA1KAT2BSYKMKNK1MKNK2
SCHEMBL21393365 0.71 CYP3A4 (0.40) TRPA1POLBALDH1A1LMNAXDH
SCHEMBL21363641 0.70 POLB (0.44) POLBALDH1A1TSHRADORA2A
SCHEMBL21363637 0.68 POLB (0.47) POLBALDH1A1LMNATSHRADORA2A
SCHEMBL21393362 0.68 POLB (0.43) POLBALDH1A1LMNATSHRADORA2A
SCHEMBL21353905 0.68 POLB (0.43) POLBALDH1A1TSHRADORA2ARAB9A

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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 TRPA1 1/4885POLB 4798/4885KAT2B 2519/4885

“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.