Sugi Predict

Sugi Predict / Compounds / SCHEMBL505972

SCHEMBL505972

SCHEMBL505972

O/N=C/c1ccc(CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ACHE P22303 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL505973 1.00 RAB9A (0.47) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL5871707 0.83 RAB9A (0.45) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL5871705 0.83 RAB9A (0.45) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL13613577 0.81 KMT2A (0.50) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL4275683 0.80 KMT2A (0.64) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL5668373 0.80 KMT2A (0.64) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL4275687 0.80 KMT2A (0.64) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL4619336 0.79 RAB9A (0.49) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL4619341 0.79 RAB9A (0.49) RAB9ASMN1; SMN2NPC1CASP3SENP8
SCHEMBL981090 0.77 GAA (0.57) RAB9ASMN1; SMN2NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 — — US disclosed
CN-115703768-B Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-12-17 — — CN disclosed
CN-117794924-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-03-29 — — CN disclosed
CN-115703768-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2023-02-17 — — CN disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — WO disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — WO disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
US-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 — — US disclosed
US-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 — — US disclosed
US-9296711-B2 Substituted isoxazole amide compounds as inhibitors of stearoyl-CoA desaturase 1 (SCD1) HOFFMAN-LA ROCHE INC. (US) 2016-03-29 — — US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 — — US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 — — US disclosed
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) HOFFMANN-LA ROCHE INC. 2015-10-29 — — US disclosed
EP-2925751-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. Hoffmann-La Roche AG (CH) 2015-10-07 — — EP disclosed
WO-2014086704-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
WO-2014086704-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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 (3 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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 RAB9A 2996/4885SMN1; SMN2 2270/4885NPC1 4286/4885
US-20150307463-A1 SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1) SCD, SCD5, CPT1A RAB9A 3768/4885SMN1; SMN2 2050/4885NPC1 317/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 RAB9A 2945/4885SMN1; SMN2 1815/4885NPC1 4238/4885

“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.

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