SCHEMBL20139329

SCHEMBL20139329

Fc1cccc(Oc2nc(Br)nn2CC(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SLC6A2 P23975 13/20 0.35
SLC6A4 P31645 13/20 0.35
SLC6A3 Q01959 13/20 0.35
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K4 O95819 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
SCHEMBL20142999 0.87 DGAT1 (0.30)
SCHEMBL20139145 0.86 PPARG (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL20141402 0.86 TEAD1 (0.43) KDM4EALDH1A1MAPTKMT2A
SCHEMBL20138714 0.86 AR (0.36) SLC6A2SLC6A4SLC6A3USP2KMT2A
SCHEMBL23504764 0.85 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL20139693 0.83 KCNJ6 (0.35) SLC6A4MAP4K4
SCHEMBL20138802 0.81 EPAS1 (0.41)
SCHEMBL20154256 0.80 SOS1 (0.36) SLC6A4
SCHEMBL20142981 0.80 KCNH2 (0.37) SLC6A4
SCHEMBL20143008 0.77 NPBWR1 (0.36) KDM4ESLC6A4

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-109790149-B Phenoxytriazoles 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-A1 PHENOXYTRIAZOLES F. Hoffmann-La Roche AG (CH) 2019-09-18 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 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-20210309653-A1 PHENOXYTRIAZOLES HTT, PSEN1, APP KDM4E 4724/4885ALDH1A1 2350/4885MAPT 93/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KDM4E 4678/4885ALDH1A1 2864/4885MAPT 84/4885

“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.