SCHEMBL20139202

SCHEMBL20139202

FCCn1nc(Br)nc1Oc1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 3/20 0.33
IDO1 P14902 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CXCL8 P10145 1/20 0.32
LMNA P02545 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
SCHEMBL20138709 0.86 ALDH1A1 (0.38) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL20138854 0.83 KDM4E (0.38) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL20138857 0.83 HTT (0.35) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL20159293 0.83 KMT2A (0.37) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL20138853 0.80 HTT (0.42) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL6916024 0.79 KMT2A (0.41) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL20138702 0.76 CYP1A2 (0.38) ALDH1A1HTTCYP1A2CYP2C19CYP3A4
SCHEMBL20142958 0.75 EGFR (0.38) SLC6A4KCNH2
SCHEMBL20138699 0.73 GNRHR (0.32) CYP3A4CYP2C9NPSR1KMT2AKCNH2
SCHEMBL6914242 0.72 HTT (0.39) ALDH1A1HTTCYP1A2CYP2C19CYP3A4

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