Sugi Predict

Sugi Predict / Compounds / SCHEMBL5563

SCHEMBL5563

SCHEMBL5563

CC(C)Oc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.54
▸ TDP1 Q9NUW8 6/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALDH1A3 P47895 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ TEAD4 Q15561 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ APP P05067 1/20 0.42

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
Hydrochloric Acid SCHEMBL4963793 0.97 TDP1 (0.54) PARP10TDP1MAPK1ALDH1A3ALDH1A1
SCHEMBL4689762 0.87 TDP1 (0.56) PARP10TDP1MAPK1ALDH1A3ALDH1A1
SCHEMBL125543 0.86 ALDH1A3 (0.64) PARP10MAPK1ALDH1A3ALDH1A1TSHR
SCHEMBL38655995 0.84 TDP1 (0.52) PARP10TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL2881391 0.84 TDP1 (0.52) PARP10TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL11116546 0.84 PARP10 (0.65) PARP10MAPK1ALDH1A3ALDH1A1KMT2A
SCHEMBL18948912 0.82 TDP1 (0.50) PARP10TDP1MAPK1ALDH1A1CYP3A4
Hydrogen Peroxide SCHEMBL28902806 0.80 KMT2A (0.70) PARP10MAPK1ALDH1A3ALDH1A1KMT2A
SCHEMBL12012135 0.80 TDP1 (0.48) PARP10TDP1MAPK1ALDH1A1CYP3A4
SCHEMBL5635955 0.80 TDP1 (0.48) PARP10TDP1MAPK1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948646-A Super-wetting buffer oxide etching solution, preparation method and application thereof 浙江奥首材料科技有限公司 2023-10-27 — — CN claimed
CN-115448909-B N-carbazolyl-1H-pyrrole-2-carboxamide and application thereof as ligand in copper-catalyzed C-N coupling reaction 中山大学 2023-10-27 — — CN claimed
CN-116217490-A Benzimidazole compound, and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2023-06-06 — — CN claimed
CN-115894460-A Benzoheterocyclic phenylphenanthro imidazole compound, preparation method and application thereof 黑龙江大学 2023-04-04 — — CN claimed
CN-115448909-A N-carbazolyl-1H-pyrrole-2-formamide and application thereof as ligand in copper-catalyzed C-N coupling reaction 中山大学 2022-12-09 — — CN claimed
CN-110961151-B Ruthenium-copper bimetallic catalyst, preparation method and application thereof 扬州大学 2022-08-12 — — CN claimed
CN-110961151-A Ruthenium-copper bimetallic catalyst, preparation method and application thereof 扬州大学 2020-04-07 — — CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP claimed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP claimed
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 — — EP claimed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 — — WO claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 — — EP claimed
WO-2007012042-A1 NEW CRYSTAL FORMS OF 4-[6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPERAZINE-1-CARBOXYLIC ACID(4-ISOPROPOXYPHENYL)-AMIDE MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-25 — — WO claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 — — WO claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed
US-6960580-B2 Nitrogenous heterocyclic substituted quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-01 — — US claimed
EP-1490362-A2 (HOMO)PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES Millennium Pharmaceuticals, Inc. (US) 2004-12-29 — — EP claimed
US-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-02 — — US claimed
WO-2002072578-A2 (HOMO) PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES MILLENNIUM PHARMACEUTICALS (US) 2002-09-19 — — WO claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds WNK2, PDGFA, PDGFRA PARP10 977/4885TDP1 3064/4885MAPK1 347/4885

“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.