Sugi Predict

Sugi Predict / Compounds / SCHEMBL4320351

SCHEMBL4320351

SCHEMBL4320351

O/N=C/c1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ DYRK3 O43781 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL77711 1.00 NPC1 (0.46) NPC1RAB9ADYRK3DYRK1ADYRK2
SCHEMBL68190 1.00 NPC1 (0.46) NPC1RAB9ADYRK3DYRK1ADYRK2
SCHEMBL19719719 0.79 MAOB (0.54) NPC1RAB9AMAPTADRA2AADRA2B
SCHEMBL7669128 0.79 NPC1 (0.40) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL9355268 0.79 NPC1 (0.40) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL9355273 0.79 NPC1 (0.40) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL7669124 0.79 NPC1 (0.40) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL1250677 0.76 DGAT1 (0.39) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL1250674 0.76 DGAT1 (0.39) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL24461545 0.76 ALDH1A1 (0.40) NPC1RAB9ADYRK3DYRK1ADYRK2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2024-08-22 — — US disclosed
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 — — US disclosed
CN-109923113-B Isoxazolyl ether derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2023-10-13 — — CN disclosed
US-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2022-12-29 — — US disclosed
EP-3551627-B1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2022-02-16 — — EP disclosed
US-11091471-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-08-17 — — US disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 — — US disclosed
CN-112424196-A Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM 豪夫迈·罗氏有限公司 2021-02-26 — — CN disclosed
EP-3551627-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM H. Hoffnabb-La Roche Ag (CH) 2019-10-16 — — EP disclosed
US-20190300516-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2019-10-03 — — US disclosed
WO-2018104419-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2018-06-14 — — WO disclosed
US-8383658-B2 Isoxazole based neuronal nicotinic receptor ligands and methods of use ABBOTT LABORATORIES (US) 2013-02-26 — — US disclosed
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof ABBOTT LABORATORIES (US) 2009-12-10 — — US disclosed
WO-2009149135-A1 BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2009-12-10 — — 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 (7 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 NPC1 2500/4885RAB9A 855/4885DYRK3 2435/4885
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof XDH, PRDX5, CYP4X1 NPC1 837/4885RAB9A 4160/4885DYRK3 2208/4885
US-20190300516-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 NPC1 2771/4885RAB9A 1461/4885DYRK3 2629/4885
US-20220411415-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 NPC1 2771/4885RAB9A 1461/4885DYRK3 2629/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 NPC1 3962/4885RAB9A 1164/4885DYRK3 2217/4885
US-11091471-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA1, GABRA3 NPC1 2301/4885RAB9A 1394/4885DYRK3 2549/4885
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 NPC1 2771/4885RAB9A 1461/4885DYRK3 2629/4885

“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.