SCHEMBL20138803

SCHEMBL20138803

CC(C)n1nc(Br)nc1Oc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.38
DGAT1 O75907 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 2/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MGLL Q99685 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DHODH Q02127 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
P2RX3 P56373 1/20 0.32
CNR2 P34972 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 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
SCHEMBL20138683 0.85
SCHEMBL20142991 0.85 MAPT (0.37) ALDH1A1MAPTHTTCYP1A2CYP2D6
SCHEMBL20138672 0.83 PSEN1 (0.37) ALDH1A1MAPTMGLL
SCHEMBL20159982 0.82 SCN4A (0.38) SCN4AALDH1A1MAPTHTTNCOA3
SCHEMBL20138797 0.81 KDR (0.39) MAPTHTTHTR2A
SCHEMBL20138682 0.80 PTGS2 (0.36)
SCHEMBL20142975 0.79 MAPT (0.39) ALDH1A1MAPTHTTNCOA3MEN1
SCHEMBL20142992 0.79 EPAS1 (0.39)
SCHEMBL6914931 0.79 PDE1A (0.39) ALDH1A1HTR2AHTR2CMEN1KMT2A
SCHEMBL20159274 0.79 HTR2A (0.37) MGLLHTR2A

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 SCN4A 2786/4885DGAT1 145/4885ALDH1A1 2350/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 SCN4A 3160/4885DGAT1 106/4885ALDH1A1 2864/4885

“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.