SCHEMBL20187459

SCHEMBL20187459

OCCc1ccc2ccc(Br)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
ALOX5 P09917 1/20 0.45
GAA P10253 1/20 0.45
BACE1 P56817 1/20 0.45
CYP2A6 P11509 1/20 0.45
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
HTR2A P28223 1/20 0.34
CHEK1 O14757 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL29434702 1.00 KDM4E (0.45) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL1639508 0.94 KDM4E (0.47) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL5782534 0.83 CYP2A6 (0.48) KDM4EALDH1A1MAPTBACE1CYP2A6
SCHEMBL31250401 0.83 CYP2A6 (0.48) KDM4EALDH1A1MAPTBACE1CYP2A6
SCHEMBL5855257 0.82 CYP2A6 (0.43) KDM4EALDH1A1MAPTALOX5CYP2A6
SCHEMBL16414961 0.81 HDAC1 (0.43) KDM4EALDH1A1MAPTCYP2A6CA2
SCHEMBL2311805 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL2312808 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL5610449 0.80 KDM4E (0.58) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL16414528 0.79 HDAC1 (0.45) KDM4EALDH1A1MAPTCYP2A6CA2

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 4296/4885ALDH1A1 319/4885MAPT 3057/4885
US-20190284189-A1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS TRPA1, TRPV1, TRPV3 KDM4E 4296/4885ALDH1A1 319/4885MAPT 3057/4885

“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.