SCHEMBL477394

SCHEMBL477394

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
GAA P10253 2/20 0.73
MAPT P10636 9/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL477396 1.00 CYP1A2 (0.73) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL474857 0.85 CYP1A2 (1.00) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL13784015 0.85 CYP1A2 (0.71) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL30485792 0.83 GAA (0.69) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL22232691 0.83 GAA (0.69) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL2664545 0.83 NPC1 (0.71) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL30354968 0.83 NPC1 (0.71) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL22232687 0.82 NPC1 (0.80) CYP1A2GAAMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6951945 0.82 CYP1A2 (0.63) CYP1A2GAAMAPTNPC1RAB9A
SCHEMBL30485791 0.82 NPC1 (0.80) CYP1A2GAAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399206-A1 PAPD5 AND/OR PAPD7 INHIBITING 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES Redona Therapeutics, Inc. (US) 2024-07-17 EP disclosed
WO-2023039089-A1 PAPD5 AND/OR PAPD7 INHIBITING 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID DERIVATIVES TWENTYEIGHT-SEVEN, INC. (US) 2023-03-16 WO disclosed
US-20220220096-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-07-14 US disclosed
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
EP-2790511-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
WO-2016120808-A1 HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-08-04 WO disclosed
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
CN-102548984-B The inhibitor of PI3 kinases and/or MTOR AMGEN INC. (US) 2015-11-25 CN disclosed
CN-102448958-B Pyrimidyl and 1,3,5-triazines base benzimidazole sulfonamides and its purposes in cancer therapy VETDC, INC. (US) 2015-10-21 CN disclosed
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
EP-2518071-A1 Imidazopyridine derivatives as PI3K inhibitors Almirall, S.A. (ES) 2012-10-31 EP disclosed
EP-2464228-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2012-06-20 EP disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
CN-101808994-A Be used for Compounds and methods for that kinases regulates with and indication PLEXXIKON INC 2010-08-18 CN disclosed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 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 (4 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-20220220096-A1 JAK1 SELECTIVE KINASE INHIBITOR JAK1, JAK2, JAK3 CYP1A2 952/4885GAA 2309/4885MAPT 3488/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CYP1A2 3522/4885GAA 3491/4885MAPT 4115/4885
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR CYP1A2 1333/4885GAA 1237/4885MAPT 4427/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD CYP1A2 4361/4885GAA 807/4885MAPT 1510/4885

“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.