SCHEMBL20138853

SCHEMBL20138853

CC(C)Cn1nc(Br)nc1Oc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HTR2C P28335 3/20 0.34
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 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
SCHEMBL20138857 0.87 HTT (0.35) HTTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20138854 0.85 KDM4E (0.38) HTTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20138709 0.83 ALDH1A1 (0.38) HTTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20139202 0.80 ALDH1A1 (0.35) HTTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6914242 0.80 HTT (0.39) HTTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20159293 0.79 KMT2A (0.37) HTTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6916024 0.77 KMT2A (0.41) HTTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL20138699 0.77 GNRHR (0.32) CYP3A4CYP2C9NPSR1HTR2AMEN1
SCHEMBL20159603 0.71
SCHEMBL20138674 0.71 EPAS1 (0.37)

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 HTT 1/4885ALDH1A1 2350/4885CYP1A2 2344/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 HTT 1/4885ALDH1A1 2864/4885CYP1A2 2305/4885

“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.