Sugi Predict

Sugi Predict / Compounds / SCHEMBL8407233

SCHEMBL8407233

SCHEMBL8407233

CC(CC=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 7/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL28938445 1.00 KCNJ1 (0.47) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL27747461 0.86 KCNJ1 (0.45) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL14424184 0.84 KCNJ1 (0.46) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL10854988 0.81 KCNJ1 (0.49) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL21200199 0.80 KMT2A (0.55) ALDH1A1MAPTL3MBTL1TSHRTDP1
SCHEMBL21200200 0.80 KMT2A (0.55) ALDH1A1MAPTL3MBTL1TSHRTDP1
SCHEMBL16806066 0.79 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL16806060 0.79 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL173199 0.79 ALDH1A1 (0.50) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1
SCHEMBL1966503 0.78 KCNJ1 (0.44) KCNJ1KCNH2ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5235058-A Photographic couplers FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 — — US claimed
EP-0476659-A1 A 3(5)-Hydrazinopyrazole compound Fuji Photo Film Co., Ltd. (JP) 1992-03-25 — — EP claimed
CN-114349687-B 3, 5-dicarboxylic ester-1, 4-dihydropyridine hydrogenation reagent, preparation method and application thereof 中山奕安泰医药科技有限公司 2023-11-17 — — CN disclosed
CN-114349685-B 1, 4-dihydropyridine hydrogenation reagent, preparation method and application thereof 中山奕安泰医药科技有限公司 2023-10-17 — — CN disclosed
CN-114349686-B 1, 4-dihydropyridine chiral hybrid hydrogenation reagent, preparation method and application thereof 中山奕安泰医药科技有限公司 2023-07-07 — — CN disclosed
CN-114349685-A 3, 5-diamide-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof 中山奕安泰医药科技有限公司 2022-04-15 — — CN disclosed
CN-114349687-A 3, 5-dicarboxylic ester-1, 4-dihydropyridine hydrogenation reagent and preparation method and application thereof 中山奕安泰医药科技有限公司 2022-04-15 — — CN disclosed
CN-114349686-A 1, 4-dihydropyridine chiral hybrid hydrogenation reagent and preparation method and application thereof 中山奕安泰医药科技有限公司 2022-04-15 — — CN disclosed
CN-102701987-A Method for synthesizing chiral beta-aryl-gamma-nitro butyl aldehyde compounds UNIV NANKAI 2012-10-03 — — CN disclosed
US-7683191-B2 Organic salts and method for producing chiral organic compounds Studiangesellschaft Kohle mbH (DE) 2010-03-23 — — US disclosed
US-7645908-B2 Method for hydrogenation of α, β-unsaturated carbonyl compounds STUDIENGESELLSCHAFT KOHLE MBH (DE) 2010-01-12 — — US disclosed
US-20090182174-A1 METHOD FOR HYDROGENATION OF ALPHA, BETA-UNSATURATED CARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-07-16 — — US disclosed
US-20090182174-A1 METHOD FOR HYDROGENATION OF ALPHA, BETA-UNSATURATED CARBONYL COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-07-16 — — US disclosed
US-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2009-01-29 — — US disclosed
WO-2007098741-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2007-09-07 — — WO disclosed
EP-0718277-B1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO LTD (JP) 1999-07-21 — — EP disclosed
EP-0718277-A1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO., LTD. (JP) 1996-06-26 — — EP disclosed
US-5235058-A Photographic couplers FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 — — US disclosed
EP-0476659-A1 A 3(5)-Hydrazinopyrazole compound Fuji Photo Film Co., Ltd. (JP) 1992-03-25 — — EP disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 — — 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 (2 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-20090030216-A1 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS ICMT, OTC, PNPO KCNJ1 545/4885KCNH2 532/4885ALDH1A1 814/4885
US-20090182174-A1 METHOD FOR HYDROGENATION OF ALPHA, BETA-UNSATURATED CARBONYL COMPOUNDS CBR3, CBR1, DHCR24 KCNJ1 1186/4885KCNH2 279/4885ALDH1A1 352/4885

“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.