SCHEMBL3024397

SCHEMBL3024397

Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
ALDH1A1 P00352 4/20 0.52
SLC2A1 P11166 1/20 0.49
HPGD P15428 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 3/20 0.47
ALOX12 P18054 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AGTR1 P30556 1/20 0.46
CYP3A4 P08684 1/20 0.46
APP P05067 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL116229 1.00 MAPT (0.53) MAPTLMNAADRA2AADRA2BADRA2C
Methane SCHEMBL28159882 0.98 MAPT (0.52) MAPTLMNAADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8872527 0.98 ADRA2A (0.54) MAPTLMNAADRA2AADRA2BADRA2C
Acetone SCHEMBL28243789 0.91 CYP1A2 (0.57) MAPTLMNAADRA2AADRA2BADRA2C
Phosphoric Acid SCHEMBL8529442 0.91 ADRA2A (0.50) MAPTLMNAADRA2AADRA2BADRA2C
Phosphoric Acid SCHEMBL9079479 0.88 ADRA2A (0.47) MAPTLMNAADRA2AADRA2BADRA2C
Cadaverine Tartrate SCHEMBL28586029 0.85 ADRA2A (0.45) MAPTLMNAADRA2AADRA2BADRA2C
Cadaverine Tartrate SCHEMBL28598769 0.85 ADRA2A (0.45) MAPTLMNAADRA2AADRA2BADRA2C
SCHEMBL19461607 0.84 MAPT (0.71) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL25336501 0.83 IDO1 (0.42) MAPTLMNAADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
JP-2006500348-A 2006-01-05 JP claimed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP claimed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 WO claimed
EP-0570250-B1 Crystalline structure of monohydrogentartrates, process for its preparation and application thereof FRANCE TELECOM (FR) 1998-06-03 EP claimed
EP-0619308-B1 Crystalline structures of halides of 2-amino-5-nitro-pyridinium, process for their preparation and an electrooptical device with such structures FRANCE TELECOM (FR) 1998-03-11 EP claimed
EP-0488869-B1 Salts of 2-amino-5-nitropyridinium for non-linear and electro-optic use, and a process for their preparation FRANCE TELECOM (FR) 1996-02-07 EP claimed
US-5397508-A 2-amino-5-nitropyridinium salts usable in non-linear optics and in electroptics and a process for preparing the same FRANCE TELECOM ETABLISSEMENT AUTONOME DE DROIT PUBLIC (CENTRE NATIONAL D'ETUDES DES TELECOMMUNICATIONS) (FR) 1995-03-14 US claimed
US-5374734-A Monohydrogentartrate crystalline structure having nonlinear quadratic effects FRANCE TELECOM (FR) 1994-12-20 US claimed
EP-0619308-A1 Crystalline structures of the hydrogen chloride salt of 2-amino-5-nitro-pyridinium, process for their preparation and an electrooptical device with such structures FRANCE TELECOM (FR) 1994-10-12 EP claimed
EP-0570250-A2 Crystalline structure of monohydrogentartrates, process for its preparation and application thereof FRANCE TELECOM (FR) 1993-11-18 EP claimed
EP-0488869-A1 Salts of 2-amino-5-nitropyridinium for non-linear and electro-optic use, and a process for their preparation FRANCE TELECOM (FR) 1992-06-03 EP claimed
JP-6080500-A None JP disclosed
JP-5125049-A None JP disclosed
US-20240068988-A1 SYSTEMS AND METHODS FOR RAPID PATHOGEN DETECTION MARSHALL DARRELL D (US) 2024-02-29 US disclosed
WO-2022203601-A1 COMPOUNDS USEFUL AS HAIR DYES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-09-29 WO disclosed
JP-H05125049-A NOVEL SALT OF 2AMINO-5NITROPYRYDINIUM USABLE IN NON-LINEAR OPTICS AND ELECTROOPTICS AND ITS PRODUCTION CENTRE NATL ETUD TELECOMMUN (PTT) 1993-05-21 JP disclosed
EP-0488869-A1 Salts of 2-amino-5-nitropyridinium for non-linear and electro-optic use, and a process for their preparation FRANCE TELECOM (FR) 1992-06-03 EP disclosed
EP-0488869-A1 Salts of 2-amino-5-nitropyridinium for non-linear and electro-optic use, and a process for their preparation FRANCE TELECOM (FR) 1992-06-03 EP disclosed
EP-0488869-A1 Salts of 2-amino-5-nitropyridinium for non-linear and electro-optic use, and a process for their preparation FRANCE TELECOM (FR) 1992-06-03 EP 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-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 MAPT 4723/4885LMNA 1489/4885ADRA2A 4096/4885

“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.