SCHEMBL20138709

SCHEMBL20138709

CCCn1nc(Br)nc1Oc1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EGFR P00533 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35

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
SCHEMBL20138854 0.89 KDM4E (0.38) ALDH1A1NPSR1HTTCYP1A2CYP3A4
SCHEMBL20139202 0.86 ALDH1A1 (0.35) ALDH1A1NPSR1HTTCYP1A2CYP3A4
SCHEMBL20138853 0.83 HTT (0.42) ALDH1A1NPSR1HTTCYP1A2CYP3A4
SCHEMBL6916024 0.81 KMT2A (0.41) ALDH1A1NPSR1HTTCYP1A2CYP3A4
SCHEMBL20159293 0.80 KMT2A (0.37) ALDH1A1NPSR1HTTPTGS2CYP1A2
SCHEMBL20138857 0.80 HTT (0.35) ALDH1A1NPSR1HTTCYP1A2CYP3A4
SCHEMBL20154249 0.76 CYP1A2 (0.40) ALDH1A1HTTCYP1A2CYP3A4CYP2C9
SCHEMBL6914242 0.75 HTT (0.39) ALDH1A1NPSR1HTTCYP1A2CYP3A4
SCHEMBL20143001 0.74 HTR2A (0.38) SLC6A4EGFRLMNAMAPTNPC1
SCHEMBL20159238 0.72 LMNA (0.38) ALDH1A1NPSR1HTTCYP1A2CYP3A4

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 ALDH1A1 2350/4885NPSR1 76/4885HTT 1/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 ALDH1A1 2864/4885NPSR1 53/4885HTT 1/4885

“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.