Sugi Predict

Sugi Predict / Compounds / SCHEMBL735634

SCHEMBL735634

SCHEMBL735634

CC(C)Oc1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ GABRA5 P31644 3/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ ACACB O00763 9/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39

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
SCHEMBL5423751 0.88 ACACB (0.46) ALDH1A1ACACBACACA
SCHEMBL4763804 0.84 ALDH1A1 (0.36) ALDH1A1GABRA5GABRA1GABRG2GABRB3
SCHEMBL21284380 0.83 GRM2 (0.40) ALDH1A1GABRA5GABRA1GABRG2GABRB3
SCHEMBL21284415 0.83 GRM2 (0.40) ALDH1A1GABRA5GABRA1GABRG2GABRB3
SCHEMBL21284410 0.83 GRM2 (0.40) ALDH1A1GABRA5GABRA1GABRG2GABRB3
SCHEMBL1547410 0.82 ACACB (0.53) ALDH1A1ACACBACACA
SCHEMBL5943065 0.82 ACACB (0.51) ALDH1A1ACACBACACAKDM4E
SCHEMBL23414291 0.81 ALDH1A1 (0.34) ALDH1A1GABRA5GBA1KDM4E
SCHEMBL21284379 0.81 GABRA5 (0.44) ALDH1A1GABRA5GABRA1GABRG2GABRB3
SCHEMBL21274352 0.81 GABRA5 (0.44) ALDH1A1GABRA5GABRA1GABRG2GABRB3

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 153 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092040-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2025-03-20 — — US disclosed
CN-118005614-B Pyrimidine pyridine CDK inhibitor and preparation method and application thereof 中国药科大学 2025-02-07 — — CN disclosed
CN-113135896-B Methylpyrazole derivatives as RET inhibitors 正大天晴药业集团股份有限公司 2024-12-06 — — CN disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 — — US disclosed
US-11999730-B1 AKT1 modulators ALTEROME THERAPEUTICS, INC. (US) 2024-06-04 — — US disclosed
US-20240174667-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-05-30 — — US disclosed
CN-118005614-A Pyrimidine pyridine CDK inhibitor and preparation method and application thereof 中国药科大学 2024-05-10 — — CN disclosed
CN-111344287-B Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors 默沙东有限责任公司 2023-12-19 — — CN disclosed
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 — — EP disclosed
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 — — US disclosed
WO-2006077412-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 — — WO disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 — — WO disclosed
WO-2005123675-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 — — WO disclosed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 — — WO disclosed
WO-2005116016-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 — — WO disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 — — WO disclosed
CN-1701070-A Delta1-pyrrolines compound BAYER CROPSCIENCE AG (DE) 2005-11-23 — — CN disclosed
US-20050228028-A1 A1-pyrrolines BAYER CROPSCIENCE AG (DE) 2005-10-13 — — US disclosed
EP-1448549-A1 DELTA1-PYRROLINES Bayer CropScience AG (DE) 2004-08-25 — — EP disclosed
WO-2003040130-A1 $g(D)1-PYRROLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-05-15 — — 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 (6 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 ALDH1A1 4692/4885GABRA5 4584/4885GABRA1 4414/4885
US-20050228028-A1 A1-pyrrolines CHRM1, CYC1, DDT ALDH1A1 406/4885GABRA5 2472/4885GABRA1 1319/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 ALDH1A1 2716/4885GABRA5 1412/4885GABRA1 1586/4885
US-20250092040-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 ALDH1A1 4692/4885GABRA5 4584/4885GABRA1 4414/4885
US-11999730-B1 AKT1 modulators AKT1S1, AKT1, AKT2 ALDH1A1 4692/4885GABRA5 4584/4885GABRA1 4414/4885
US-20240174667-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 ALDH1A1 4692/4885GABRA5 4584/4885GABRA1 4414/4885

“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.