SCHEMBL474593

SCHEMBL474593

Cc1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TSHR P16473 4/20 0.47
CYP3A4 P08684 3/20 0.47
RECQL P46063 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL29492839 1.00 NOS3 (0.52) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL4888907 0.85 NOS3 (0.52) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL3085354 0.82 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8564866 0.82 EGFR (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30197179 0.80 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL843761 0.80 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5252473 0.80 TDP1 (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL24455815 0.78 NOS3 (0.50) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL8564092 0.77 MAPK1 (0.47) ALDH1A1MAPTCYP1A2CYP2C9TSHR
SCHEMBL22498154 0.77 ALDH1A1 (0.47) ALDH1A1MAPTTSHRCYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250231190-A1 ENHANCED FLUORESCENCE SIGNAL THROUGH THE APPLICATION OF AROMATIC ADDITIVES ONTO THE MICROSCOPY SAMPLE FOR STANDARD FLUORESCENCE, FLUORESCENCE MICROSCOPY AND COMBINED FLUORESCENCE MALDI MICROSCOPY/IMAGING THE JOHNS HOPKINS UNIVERSITY 2025-07-17 US claimed
US-20240096612-A1 METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND SHIMADZU CORPORATION (JP) 2024-03-21 US claimed
EP-4293350-A1 METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND Shimadzu Corporation (JP) 2023-12-20 EP claimed
WO-2023205280-A1 ENHANCED FLUORESCENCE SIGNAL THROUGH THE APPLICATION OF AROMATIC ADDITIVES ONTO THE MICROSCOPY SAMPLE FOR STANDARD FLUORESCENCE, FLUORESCENCE MICROSCOPY AND COMBINED FLUORESCENCE MALDI MICROSCOPY/IMAGING THE JOHNS HOPKINS UNIVERSITY (US) 2023-10-26 WO claimed
WO-2023205279-A1 IMPROVED RAMAN SPECTROSCOPY WITH THE ADDITION OF AROMATIC COMPOUNDS THE JOHNS HOPKINS UNIVERSITY (US) 2023-10-26 WO claimed
CN-116917726-A Mass spectrometry of organic synthetic compounds 株式会社岛津制作所 2023-10-20 CN claimed
WO-2022172500-A1 METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND 株式会社 島津製作所 2022-08-18 WO claimed
EP-3183553-B1 METHOD OF SAMPLE PREPARATION FOR MALDI AND AUTOMATED SYSTEM THEREFOR BECTON DICKINSON CO (US) 2022-01-12 EP claimed
CN-107076651-B Sample preparation method for MALDI and automated system therefor 贝克顿·迪金森公司 2021-04-06 CN claimed
EP-3341111-B1 COATING OF AEROSOL PARTICLES USING AN ACOUSTIC COATER ZETEO TECH INC (US) 2020-09-30 EP claimed
EP-3183553-A1 METHOD OF SAMPLE PREPARATION FOR MALDI AND AUTOMATED SYSTEM THEREFOR Becton, Dickinson and Company (US) 2017-06-28 EP claimed
WO-2016028684-A1 METHOD OF SAMPLE PREPARATION FOR MALDI AND AUTOMATED SYSTEM THEREFOR BECTON, DICKINSON AND COMPANY (US) 2016-02-25 WO claimed
US-9012838-B2 Covalently functionalized nanodiamond-based MALDI matrices and methods of use thereof UNIVERSITY OF SASKATCHEWAN (CA) 2015-04-21 US claimed
US-20140312218-A1 COVALENTLY FUNCTIONALIZED NANODIAMOND-BASED MALDI MATRICES AND METHODS OF USE THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2014-10-23 US claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
CN-1284773-C Ortho-pyridinequinone derivative, composite containing said derivative, its preparation method and application BAIRUI GLOBAL CO LTD (VG) 2006-11-15 CN claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
CN-1477099-A O-pyridinoquinone derivative, composition containing the same, preparation method and use of the same 百瑞全球有限公司 2004-02-25 CN claimed
CN-1139606-C Norbornene catalytic system and its preparation method and application 中国科学院化学研究所 2004-02-25 CN claimed
CN-1394685-A Norbornene catalytic system and its preparation method and application CHINESE ACAD INST CHEMISTRY (CN) 2003-02-05 CN 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 (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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES NOS3 224/4885NOS1 252/4885NOS2 113/4885
US-20140312218-A1 COVALENTLY FUNCTIONALIZED NANODIAMOND-BASED MALDI MATRICES AND METHODS OF USE THEREOF ITGA2B, MMP2, ITGAV NOS3 911/4885NOS1 1411/4885NOS2 979/4885

“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.