SCHEMBL932480

SCHEMBL932480

C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HCAR3 P49019 5/20 0.42
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HCRTR1 O43613 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
VCAM1 P19320 1/20 0.36
ESPL1 Q14674 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL29583328 1.00 ALDH1A1 (0.44) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL11901719 1.00 ALDH1A1 (0.44) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL19124187 1.00 ALDH1A1 (0.44) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL31279962 0.87 ALDH1A1 (0.58) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL20958028 0.86 ALDH1A1 (0.48) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL2700060 0.86 ALDH1A1 (0.48) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL28693445 0.85 ALDH1A1 (0.41) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL21628089 0.85 ALDH1A1 (0.47) ALDH1A1HCAR3MAPTCA1MMP2
SCHEMBL13386691 0.84 ALDH1A1 (0.45) ALDH1A1HCAR3MAPTLMNAKMT2A
SCHEMBL21046043 0.84 CLPP (0.44) ALDH1A1HCAR3MAPTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120142654-A Mixed flora drug sensitivity in-situ detection method based on combination of metabolic markers and fluorescence in-situ hybridization 上海交通大学医学院附属仁济医院 2025-06-13 CN claimed
CN-117630193-A Method for determining chiral amino acid in cetrorelix acetate 南京锐志生物医药有限公司 2024-03-01 CN claimed
CN-114957402-B Cyclic peptide compound and separation and identification method and application thereof 桂林医学院 2024-02-09 CN claimed
CN-116359363-A Inspection method of alogliptin benzoate isomer 珠海润都制药股份有限公司 2023-06-30 CN claimed
CN-115494786-A Cold rolling high-speed data acquisition and transmission method and system 上海宝信软件股份有限公司 2022-12-20 CN claimed
CN-113024392-B Deuterated kynurenine and application thereof in analysis of amino acid configuration in polypeptide 上海市食品药品检验研究院 2022-09-27 CN claimed
CN-111505142-B Polymyxin B amino acid configuration analysis method and N-polypeptide terminal sequence sequencing method 上海市食品药品检验研究院 2022-09-27 CN claimed
CN-114957402-A Cyclopeptide compound and separation and identification method and application thereof 桂林医学院 2022-08-30 CN claimed
CN-114490839-A High-frequency acquisition and length accurate matching method and system for steel coil data 上海宝信软件股份有限公司 2022-05-13 CN claimed
CN-108037209-B Liquid chromatography analysis method of ticagrelor chiral intermediate 浙江天宇药业股份有限公司 2021-05-07 CN claimed
EP-3067692-B1 ANALYSIS OF AMINO ACIDS IN BODY FLUID BY LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY (LC-MS) QUEST DIAGNOSTICS INVEST INC (US) 2019-04-17 EP claimed
CN-104076100-A ANALYSIS OF AMINO ACIDS IN BODY FLUID BY LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY QUEST DIAGNOSTICS INVEST INC 2014-10-01 CN claimed
CN-101796408-A Analysis of Amino Acids in Body Fluids by Liquid Chromatography-Mass Spectrometry QUEST DIAGNOSTICS INVEST INC 2010-08-04 CN claimed
CN-122079800-A Preparation method and analysis method of trans-4-amino-cyclohexyl acetic acid 2026-05-26 CN disclosed
US-20260130966-A1 NOVEL THERAPEUTICS FOR PARASITIC INFECTION UNIV SOUTH FLORIDA (US) 2026-05-14 US disclosed
EP-4709482-A1 NEW TERNATIN-TYPE CYCLOPEPTIDES FOR USE IN THERAPY Centre National de la Recherche Scientifique (FR) 2026-03-18 EP disclosed
US-5869650-A POTENTIATE CYTOTOXICITY OF ANTICANCER DRUGS FOX CHASE CANCER CENTER (US) 1999-02-09 US disclosed
US-5866512-A CONTROLLING WEEDS CELGENE CORPORATION (US) 1999-02-02 US disclosed
WO-1997048708-A1 DENDROAMIDE COMPOUNDS AND THEIR USE IN CHEMOSENSITIZING MULTIDRUG RESISTANT CELLS FOX CHASE CANCER CENTER (US) 1997-12-24 WO disclosed
WO-1996037465-A1 CHIRAL ISOTHIOCYANATES AND THEIR USE AS CHIRAL DERIVATISING AGENTS LINDNER WOLFGANG (AT) 1996-11-28 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 (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-20260130966-A1 NOVEL THERAPEUTICS FOR PARASITIC INFECTION SLC10A1, SLC10A2, ABCB11 ALDH1A1 2286/4885HCAR3 4280/4885MAPT 1002/4885

“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.