SCHEMBL20138854

SCHEMBL20138854

CCn1nc(Br)nc1Oc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H3 Q13133 2/20 0.33
SLC2A1 P11166 1/20 0.33
TSHR P16473 1/20 0.33
NR1H2 P55055 1/20 0.33
CXCL8 P10145 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
SCHEMBL20138709 0.89 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL20138853 0.85 HTT (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL6916024 0.84 KMT2A (0.41) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL20139202 0.83 ALDH1A1 (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL20159238 0.83 LMNA (0.38) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL20138857 0.82 HTT (0.35) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL20159293 0.82 KMT2A (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL6914242 0.77 HTT (0.39) KDM4ESLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL20142969 0.73 BRD9 (0.41) SLC6A4LMNAMAPTNPC1RAB9A
SCHEMBL20138699 0.72 GNRHR (0.32) KDM4ENPSR1CYP3A4CYP2C9MAPT

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 4724/4885SLC6A2 709/4885SLC6A4 1349/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KDM4E 4678/4885SLC6A2 1080/4885SLC6A4 1622/4885

“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.