SCHEMBL20187457

SCHEMBL20187457

Cc1cncc2ncn(CC(=O)NN)c(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 1/20 0.48
TRPA1 O75762 13/20 0.44
MMP2 P08253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL20187460 0.83 SMN1; SMN2 (0.45) TRPA1POLBSMN1; SMN2
SCHEMBL20203244 0.78 TRPA1 (0.39) TRPA1ALDH1A1POLBSMN1; SMN2
SCHEMBL21363618 0.78 TRPA1 (0.47) TRPA1PKM
SCHEMBL20187403 0.74 KDM4E (0.45) KDM4ENPC1TRPA1ALDH1A1PKM
SCHEMBL20203344 0.72 TRPA1 (0.37) TRPA1
SCHEMBL28148819 0.70 KDM4E (0.68) KDM4ENPC1POLBSMN1; SMN2LMNA
SCHEMBL20203176 0.70 TRPA1 (0.41) TRPA1LMNA
SCHEMBL20187520 0.68 KDM4E (0.46) KDM4ENPC1TRPA1
SCHEMBL18742180 0.68 HDAC6 (0.45) KDM4ETRPA1ALDH1A1POLBSMN1; SMN2
SCHEMBL22477750 0.66 GSK3A (0.39) TRPA1

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 10 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
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
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
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
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 KDM4E 4296/4885NPC1 1024/4885TRPA1 1/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 KDM4E 4296/4885NPC1 1024/4885TRPA1 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.