SCHEMBL20138711

SCHEMBL20138711

Cn1nc(Br)nc1Oc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.37
BRAF P15056 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MGLL Q99685 1/20 0.36
MAP4K4 O95819 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
GCK P35557 1/20 0.34

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
SCHEMBL20138718 0.84 SMN1; SMN2 (0.34) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL20138688 0.82 CYP1A2 (0.47) ALDH1A1HPGDSMN1; SMN2
SCHEMBL20138672 0.82 PSEN1 (0.37) KDM4EALDH1A1MAPTHPGDF10
SCHEMBL20139044 0.82 F10 (0.40) SMN1; SMN2F10PPARG
SCHEMBL20139045 0.79 PPARG (0.32) SMN1; SMN2PPARG
SCHEMBL20139332 0.78 EPAS1 (0.40)
SCHEMBL20138791 0.77 KDR (0.41) MAPTSMN1; SMN2PPARGSLC6A4
SCHEMBL20139329 0.77 KDM4E (0.36) KDM4EALDH1A1MAPTHPGDMAP4K4
SCHEMBL20138851 0.71 GCK (0.36) MAPTHTR1AGCK
SCHEMBL20715306 0.70 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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 4724/4885ALDH1A1 2350/4885MAPT 93/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KDM4E 4678/4885ALDH1A1 2864/4885MAPT 84/4885

“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.