SCHEMBL457188

SCHEMBL457188

N[C@H](C(=O)O)C(c1ccc(O)cc1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
NR1I2 O75469 1/20 0.40
PTGS1 P23219 1/20 0.40
ADRA1A P35348 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
SRC P12931 1/20 0.40
SLC7A5 Q01650 1/20 0.40
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
SLC1A3 P43003 4/20 0.36
SLC1A2 P43004 4/20 0.36
SLC1A1 P43005 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
MMP2 P08253 1/20 0.34

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
SCHEMBL7678184 1.00 TDP1 (0.40) TDP1NR1I2PTGS1ADRA1ALMNA
SCHEMBL6451941 0.86 CYP2D6 (0.42) LMNASRCSLC1A3SLC1A2SLC1A1
SCHEMBL6451939 0.86 CYP2D6 (0.42) LMNASRCSLC1A3SLC1A2SLC1A1
SCHEMBL14935824 0.86 CYP2D6 (0.42) LMNASRCSLC1A3SLC1A2SLC1A1
SCHEMBL28664391 0.77 SRC (0.38) TDP1SRCSLC7A5GRM8GRM4
SCHEMBL8694501 0.76 SRC (0.37) TDP1SRCSLC7A5SLC1A3SLC1A2
SCHEMBL724360 0.75 GRM4 (0.39) LMNAGRM8GRM4SLC1A3SLC1A2
SCHEMBL16816921 0.75 GRM4 (0.39) LMNAGRM8GRM4SLC1A3SLC1A2
SCHEMBL3112337 0.74 TDP1 (0.44) TDP1NR1I2PTGS1ADRA1ALMNA
Water SCHEMBL6956683 0.74 GRM8 (0.38) LMNAGRM8GRM4SLC1A3SLC1A2

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 1382 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
US-12605541-B2 Stabilized anti-cancer cold atmospheric plasma (CAP)-stimulated media and methods for preparing and using same THE GEORGE WASHINGTON UNIVERSITY (US) 2026-04-21 US claimed
US-12600699-B2 Thiosemicarbazates and uses thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2026-04-14 US claimed
US-20250243472-A1 MODIFIED HELICASES OXFORD NANOPORE TECHNOLOGIES PLC (GB) 2025-07-31 US claimed
US-12351573-B2 Compounds for use in synthesis of peptidomimetics THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2025-07-08 US claimed
CN-114106341-B Comb copolymer, preparation method and application thereof 广州立邦涂料有限公司 2025-05-02 CN claimed
WO-2025026273-A1 DEGRADABLE VALVE STENT, VALVE STENT FOR PULMONARY ARTERIAL VALVE, PULMONARY ARTERIAL VALVE, AND HEART VALVE 元心科技(深圳)有限公司 2025-02-06 WO claimed
WO-2025019764-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS MATTERWORKS INC (US) 2025-01-23 WO claimed
WO-2024241086-A1 PEGYLATED BOVINE INTERFERON LAMBDA AND METHODS OF USE THEREOF AMBRX, INC. (US) 2024-11-28 WO claimed
CN-118837449-A Method for detecting tryptophan and metabolites thereof in blood 安徽医科大学 2024-10-25 CN claimed
EP-1807515-A2 ORTHOGONAL TRANSLATION COMPONENTS FOR THE IN VIVO INCORPORATION OF UNNATURAL AMINO ACIDS The Scripps Research Institute (US) 2007-07-18 EP claimed
WO-2006110182-A2 ORTHOGONAL TRANSLATION COMPONENTS FOR THE IN VIVO INCORPORATION OF UNNATURAL AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-10-19 WO claimed
EP-1017358-B1 REDUCTION OF HAIR GROWTH GILLETTE CO (US) 2004-08-11 EP claimed
EP-0547065-B1 MELANIN PRODUCTION BY TRANSFORMED MICROORGANISMS LARGE SCALE BIOLOGY CORP (US) 2001-08-29 EP claimed
EP-1017358-A1 REDUCTION OF HAIR GROWTH THE GILLETTE COMPANY (US) 2000-07-12 EP claimed
US-5939458-A APPLYING AN INHIBITOR OF AMINOACYL-TRNA SYNTHETASE TO THE SKIN GILLETTE COMPANY, THE 1999-08-17 US claimed
WO-1999015136-A1 REDUCTION OF HAIR GROWTH THE GILLETTE COMPANY (US) 1999-04-01 WO claimed
EP-0547065-A4 MELANIN PRODUCTION BY TRANSFORMED MICROORGANISMS 1993-09-15 EP claimed
EP-0547065-A1 MELANIN PRODUCTION BY TRANSFORMED MICROORGANISMS Biosource Technologies, Inc. (US) 1993-06-23 EP claimed
WO-1992000373-A1 MELANIN PRODUCTION BY TRANSFORMED MICROORGANISMS BIOSOURCE GENETICS CORPORATION (CA) 1992-01-09 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 (3 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-12351573-B2 Compounds for use in synthesis of peptidomimetics DNPEP, NPEPPS, PAM TDP1 3027/4885NR1I2 4566/4885PTGS1 2925/4885
US-12600699-B2 Thiosemicarbazates and uses thereof MET, THRB, ABAT TDP1 2893/4885NR1I2 2038/4885PTGS1 3489/4885
US-12605541-B2 Stabilized anti-cancer cold atmospheric plasma (CAP)-stimulated media and methods for preparing and using same CAPG, VEGFA, NEFM TDP1 1751/4885NR1I2 4816/4885PTGS1 1735/4885

“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.