SCHEMBL20143008

SCHEMBL20143008

FC(F)(F)Cn1nc(Br)nc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.36
SLC6A4 P31645 1/20 0.36
SCN9A Q15858 6/20 0.36
LTA4H P09960 1/20 0.35
KCNH2 Q12809 2/20 0.35
THRB P10828 1/20 0.34
PDE2A O00408 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SCN5A Q14524 1/20 0.33
NOS1 P29475 2/20 0.32
AHR P35869 1/20 0.32
IDO1 P14902 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL20139693 0.81 KCNJ6 (0.35) SLC6A4
SCHEMBL20142981 0.81 KCNH2 (0.37) SLC6A4KCNH2
SCHEMBL20142999 0.79 DGAT1 (0.30)
SCHEMBL20154256 0.78 SOS1 (0.36) SLC6A4KCNH2
SCHEMBL20139329 0.77 KDM4E (0.36) SLC6A4KDM4E
SCHEMBL20139145 0.76 PPARG (0.36) SLC6A4SCN9AKCNH2
SCHEMBL20138673 0.74 NCOA1 (0.33) SLC6A4KDM4ELMNA
SCHEMBL20138802 0.74 EPAS1 (0.41)
SCHEMBL20159986 0.70 EGFR (0.33) KCNH2
SCHEMBL20138684 0.66 KMT2A (0.39)

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 NPBWR1 29/4885SLC6A4 1349/4885SCN9A 2895/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 NPBWR1 32/4885SLC6A4 1622/4885SCN9A 3334/4885

“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.