SCHEMBL20187696

SCHEMBL20187696

[2H]C([2H])([2H])n1cnc2nc[nH]c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.37
BRD4 O60885 2/20 0.36
GDA Q9Y2T3 1/20 0.34
RAB9A P51151 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
XDH P47989 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
SCHEMBL2414856 0.87 ALDH1A1 (0.47) ALDH1A1POLBBRD4GDARAB9A
SCHEMBL7990063 0.87 ALDH1A1 (0.47) ALDH1A1POLBBRD4GDARAB9A
Hydrochloric Acid SCHEMBL29540090 0.86 ALDH1A1 (0.45) ALDH1A1POLBBRD4GDARAB9A
SCHEMBL20189112 0.79 ALDH1A1 (0.45) ALDH1A1POLBBRD4GDARAB9A
SCHEMBL21353906 0.74 GDA (0.42) ALDH1A1POLBBRD4GDARAB9A
SCHEMBL25100643 0.72 ADORA2A (0.47) ALDH1A1POLBBRD4RAB9AHPGD
SCHEMBL7046793 0.71 ALDH1A1 (0.41) ALDH1A1POLBBRD4RAB9AHPGD
SCHEMBL1866524 0.70 ADORA2A (0.50) ALDH1A1POLBHPGDHSD17B10ADORA2A
SCHEMBL2115743 0.66 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KDM4ENPC1TP53
7-Methylxanthine SCHEMBL1495254 0.66 GDA (0.77) ALDH1A1GDARAB9AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed
EP-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-10913742-B2 Oxadiazolones as transient receptor potential channel inhibitors GENENTECH, INC. (US) 2021-02-09 US disclosed
EP-3544979-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-10-02 EP disclosed
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-19 US disclosed
WO-2018096159-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-05-31 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 (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 ALDH1A1 319/4885POLB 4583/4885BRD4 3292/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 ALDH1A1 319/4885POLB 4583/4885BRD4 3292/4885

“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.