SCHEMBL20159252

SCHEMBL20159252

Cc1c(Cl)cccc1Oc1nc(Br)nn1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.37
HSD11B1 P28845 12/20 0.36
NR1I2 O75469 4/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
HSD11B2 P80365 1/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
MC4R P32245 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
SCHEMBL6914242 0.88 HTT (0.39) HTTNPSR1PDE1APDE1BPDE1C
SCHEMBL20138712 0.86 HTR1A (0.36) HTTNPSR1PDE1APDE1BPDE1C
SCHEMBL20138658 0.81 HTR1A (0.32) HTTNPSR1PDE1APDE1BPDE1C
SCHEMBL20142975 0.77 MAPT (0.39) HTTPDE1APDE1BPDE1C
SCHEMBL20159209 0.76 HSD11B1 (0.35) HSD11B1NPSR1PDE1APDE1BPDE1C
SCHEMBL20138697 0.76 ESR1 (0.36) HSD11B1PDE1APDE1BPDE1C
SCHEMBL20138690 0.75 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20154260 0.74 LMNA (0.39) HTTPDE1APDE1BPDE1CPSEN1
SCHEMBL20138717 0.74 EPAS1 (0.36) EPAS1HTTPSEN1PSEN2APH1B
SCHEMBL6914931 0.74 PDE1A (0.39) PDE1APDE1BPDE1C

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 8 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
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 EPAS1 684/4885HSD11B1 56/4885NR1I2 2447/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 EPAS1 888/4885HSD11B1 59/4885NR1I2 2221/4885

“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.