SCHEMBL20138673

SCHEMBL20138673

Fc1ccccc1Oc1nc(Br)nn1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAPT P10636 1/20 0.33
PDE5A O76074 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
MEN1 O00255 1/20 0.32
CXCL8 P10145 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
RHEB Q15382 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MRGPRX1 Q96LB2 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
SCHEMBL20159986 0.82 EGFR (0.33)
SCHEMBL20139693 0.77 KCNJ6 (0.35) SLC6A4L3MBTL1
SCHEMBL20139329 0.76 KDM4E (0.36) MAPTKMT2AALDH1A1KDM4ESLC6A2
SCHEMBL20142999 0.75 DGAT1 (0.30)
SCHEMBL20154256 0.74 SOS1 (0.36) SLC6A4
SCHEMBL20143008 0.74 NPBWR1 (0.36) KDM4ESLC6A4LMNA
SCHEMBL20142975 0.72 MAPT (0.39) NCOA1NCOA3MAPTKMT2AALDH1A1
SCHEMBL23492724 0.71 MAPT (0.34) NCOA1NCOA3MAPTKMT2AALDH1A1
SCHEMBL20138854 0.67 KDM4E (0.38) MAPTALDH1A1CXCL8KDM4ESLC6A2
SCHEMBL20138680 0.65 EGFR (0.34) MAPTKMT2AMEN1KDM4E

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 NCOA1 2130/4885NCOA3 2131/4885MAPT 93/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 NCOA1 1695/4885NCOA3 1466/4885MAPT 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.