SCHEMBL20138664

SCHEMBL20138664

Cn1nc(Br)nc1Oc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SCN9A Q15858 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CYP1A2 P05177 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL20138791 0.82 KDR (0.41) SMN1; SMN2MAPTNPC1RAB9AKCNH2
SCHEMBL20138688 0.81 CYP1A2 (0.47) SMN1; SMN2LMNASCN9AKMT2AMEN1
SCHEMBL20159311 0.80 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKDM4EGAALMNA
SCHEMBL20142991 0.80 MAPT (0.37) SMN1; SMN2MAPTKDM4ESCN9AKMT2A
SCHEMBL20139332 0.77 EPAS1 (0.40)
SCHEMBL6916024 0.74 KMT2A (0.41) MAPTLMNASCN9AKMT2AMEN1
SCHEMBL20139790 0.74 HTR2A (0.39) SMN1; SMN2MAPTGAALMNACRHBP
SCHEMBL20138718 0.73 SMN1; SMN2 (0.34) SMN1; SMN2MAPTGAALMNACRHBP
SCHEMBL20138711 0.72 KDM4E (0.39) SMN1; SMN2MAPTKDM4EALDH1A1MAOA
SCHEMBL22143217 0.72

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 SMN1; SMN2 2236/4885MAPT 93/4885KDM4E 4724/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 SMN1; SMN2 2639/4885MAPT 84/4885KDM4E 4678/4885

“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.