SCHEMBL1496777

SCHEMBL1496777

CC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
ALDH1A1 P00352 5/20 0.61
MAPT P10636 6/20 0.57
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
PTGS2 P35354 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
MAOB P27338 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
Ammonia Solution, Strong SCHEMBL11662415 0.98 GAA (0.62) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7270186 0.86 ALDH1A1 (0.68) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3045885 0.86 MAPT (0.68) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10643494 0.86 GAA (0.58) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21156861 0.84 GAA (0.69) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL21157706 0.84 GAA (0.69) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6138558 0.83 MAPT (0.57) GAAALDH1A1MAPTCRHBPCRHR2
SCHEMBL15060886 0.83 ALDH1A1 (0.70) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL15060972 0.83 ALDH1A1 (0.70) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1496497 0.83 ALDH1A1 (0.70) GAAALDH1A1MAPTLMNASMN1; 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101357988-B Polyethyleneglycol derivatives derivated by aminophenyl UNIV SHANXI NORMAL 2010-09-15 CN claimed
CN-101357988-A Polyethyleneglycol derivatives derivated by aminophenyl UNIV SHANXI NORMAL (CN) 2009-02-04 CN claimed
EP-0121850-B1 PROCESS FOR PREPARING A CELLULAR POLYURETHANE BAYER AG (DE) 1989-08-30 EP claimed
CN-110836935-B Method for determining 3 genotoxic impurities in suplatast tosilate raw material medicine 重庆柳江医药科技有限公司 2022-01-28 CN disclosed
CN-109641832-B Azo compounds, polymers, and methods of preparation and use 东莞东阳光医疗智能器件研发有限公司 2021-06-08 CN disclosed
CN-110836935-A Method for determining 3 genotoxic impurities in suplatast tosilate raw material medicine 重庆柳江医药科技有限公司 2020-02-25 CN disclosed
CN-101374791-B Method for producing optically active alcohol compound SUMITOMO CO LTD 2012-07-18 CN disclosed
CN-101374792-B Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO 2012-03-28 CN disclosed
US-7906667-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-15 US disclosed
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
CN-101357988-B Polyethyleneglycol derivatives derivated by aminophenyl UNIV SHANXI NORMAL 2010-09-15 CN disclosed
US-6689899-B2 HYDROGENATION OF THE CORRESPONDING DINITRO COMPOUNDS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-02-10 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 EP disclosed
US-20020019558-A1 Diamine and acid anhydride KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-02-14 US disclosed
US-4914238-A Process for the production of diisocyanates, selected diisocyantes produced thereby and the production of polyurethane plastics therefrom BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0113910-B1 ISOCARBOSTYRIL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-10-11 EP disclosed
US-4820866-A Process for the production of diisocyanates, selected diisocyanates produced thereby and the production of polyurethane plastics therefrom BAYER AKTIENGESELLSCHAFT (DE) 1989-04-11 US disclosed
US-4526893-A Pharmaceuticals NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-07-02 US disclosed
EP-0113910-A1 Isocarbostyril derivatives, processes for their preparation and pharmaceutical compositions containing them NISSHIN FLOUR MILLING CO., LTD. (JP) 1984-07-25 EP disclosed
US-4123614-A USED IN DETECTION AND MEASUREMENT OF BIOLOGICAL SYSTEMS AND/OR COMPONENTS SYNTEX (U.S.A.) INC. (US) 1978-10-31 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-20020019558-A1 Diamine and acid anhydride CA1, ASIC1, CA4 GAA 247/4885ALDH1A1 116/4885MAPT 573/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 GAA 4041/4885ALDH1A1 160/4885MAPT 4200/4885

“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.