Sugi Predict

Sugi Predict / Compounds / SCHEMBL118588

SCHEMBL118588

SCHEMBL118588

CCOC(=O)Cc1ccc(N)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ CYP4Z1 Q86W10 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ PPIB P23284 1/20 0.43
▸ PPIA P62937 1/20 0.43
▸ PPID Q08752 1/20 0.43
▸ PPIG Q13427 1/20 0.43
▸ LMNA P02545 3/20 0.43

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
SCHEMBL31287243 1.00 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL5156693 0.88 SKP2 (0.49) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL5100488 0.88 ALDH1A1 (0.51) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL4029467 0.87 GAA (0.54) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL5656071 0.87 ALDH1A1 (0.71) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL4278414 0.87 ALDH1A1 (0.50) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL5201332 0.87 ALDH1A1 (0.50) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL7266886 0.85 ALDH1A1 (0.49) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL19592643 0.85 ALDH1A1 (0.49) ALDH1A1GAAGFERCYP4Z1SMN1; SMN2
SCHEMBL90470 0.85 CYP3A4 (0.49) ALDH1A1GAAGFERCYP4Z1SMN1; 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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118847245-A Synthesis method of bromoalkyl substituted quinoxaline 烟台宁远药业有限公司 2024-10-29 — — CN disclosed
CN-111471049-B Organic fluorescent molecular cage compound and preparation method thereof 上海市刑事科学技术研究院 2022-10-14 — — CN disclosed
WO-2021027724-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 — — WO disclosed
CN-111471049-A Organic fluorescent molecular cage compound and preparation method thereof 上海市刑事科学技术研究院 2020-07-31 — — CN disclosed
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 — — US disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 — — US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 — — US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 — — US disclosed
US-20020137782-A1 Substituted bicyclic compounds AVENTIS PHARMA LIMITED (GB) 2002-09-26 — — US disclosed
CN-1350534-A Substituted bicyclic heteroaryl compounds as integrin antagonists AVENTIS PHARMA LTD (GB) 2002-05-22 — — CN disclosed
EP-1183254-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS Aventis Pharma Limited (GB) 2002-03-06 — — EP disclosed
EP-1153017-A1 BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS Aventis Pharma Limited (GB) 2001-11-14 — — EP disclosed
CN-1072660-C 2,1,3-benzothia (oxa) diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GMBH (DE) 2001-10-10 — — CN disclosed
US-6197800-B1 HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS MERCK PATENT GESELLSCHAFT MI BESCHRAENKTER HAFTUNG (DE) 2001-03-06 — — US disclosed
WO-2000061580-A1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS INTEGRIN ANTAGONISTS AVENTIS PHARMA LIMITED (GB) 2000-10-19 — — WO disclosed
WO-2000049005-A1 BICYCLIC COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR LIGANDS AVENTIS PHARMA LIMITED (GB) 2000-08-24 — — WO disclosed
CN-1216540-A 2,1,3-benzothia (oxa) diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GES MIT BESCHRIKT (DE) 1999-05-12 — — CN disclosed
US-4465630-A Tetraazaannulene cobalt complex compounds and method for preparation therefor ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-08-14 — — US 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 ALDH1A1 4184/4885GAA 2659/4885GFER 1970/4885
US-10112936-B2 Five-membered heterocycles useful as serine protease inhibitors F12, F11, F5 ALDH1A1 4184/4885GAA 2659/4885GFER 1970/4885
US-20020137782-A1 Substituted bicyclic compounds ITGA1, VCAM1, ITGB1 ALDH1A1 157/4885GAA 3668/4885GFER 1000/4885

“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.