SCHEMBL2935620

SCHEMBL2935620

O=[N+]([O-])c1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
APP P05067 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SCN2A Q99250 1/20 0.42
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL4622823 0.81 TSHR (0.52) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL3277951 0.78 APP (0.44) ALDH1A1LMNAMAPK1APPHPGD
SCHEMBL28283482 0.77 APP (0.47) ALDH1A1LMNAPOLBMAPK1APP
SCHEMBL9798917 0.75 TDP1 (0.46) ALDH1A1MAPK1MEN1KMT2AHPGD
SCHEMBL28814923 0.75 PDE7A (0.47) ALDH1A1LMNAPOLBMAPK1APP
SCHEMBL9710324 0.74 ALDH1A1 (0.48) ALDH1A1LMNAPOLBMAPK1L3MBTL1
SCHEMBL3798737 0.74 ALDH1A1 (0.50) ALDH1A1LMNAPOLBAPPMEN1
SCHEMBL11385468 0.74 POLB (0.46) ALDH1A1LMNAPOLBMAPK1CRHBP
SCHEMBL5925388 0.74 ALDH1A1 (0.44) ALDH1A1LMNAPOLBMAPK1APP
SCHEMBL14880632 0.74 HSPB1 (0.42) ALDH1A1LMNAPOLBAPPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978967-B1 QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2010-09-22 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof CHATTOPADHYAYA JYOTI (SE) 2004-07-22 US claimed
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP claimed
EP-1332150-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF Chattopadhyaya, Jyoti (SE) 2003-08-06 EP claimed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US claimed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP claimed
WO-2002038578-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF CHATTOPADHYAYA JYOTI (SE) 2002-05-16 WO claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
EP-0756611-B1 PREPARATION PROCESS FOR POLYMER-MODIFIED BITUMEN SHELL INT RESEARCH (NL) 1998-03-04 EP claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US claimed
US-5719216-A IMPROVING STORAGE STABILITY OF POLYMER-MODIFIED BITUMEN BY ADDING AS COMPATIBILIZING AGENT BIS/NITROARYL/ DISULFIDE AND/OR NITROARYL ARYL DISULFIDE SHELL OIL COMPANY (US) 1998-02-17 US claimed
EP-0756611-A1 PREPARATION PROCESS FOR POLYMER-MODIFIED BITUMEN SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-02-05 EP claimed
WO-1996037545-A1 PREPARATION PROCESS FOR POLYMER-MODIFIED BITUMEN SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1996-11-28 WO claimed
EP-0648220-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA, Jyoti (SE) 1995-04-19 EP claimed
WO-1993025566-A1 DEUTERATED NUCLEOSIDES CHATTOPADHYAYA JYOTI (SE) 1993-12-23 WO claimed
JP-56158705-A None JP disclosed
US-4026830-A FILLERS USED IN HIGH TEMPERATURE LAMINATES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1977-05-31 US disclosed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US 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 (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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 ALDH1A1 1419/4885LMNA 3574/4885POLB 1470/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 ALDH1A1 1597/4885LMNA 3123/4885POLB 4700/4885
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof RNASEH1, RNASEL, NSUN2 ALDH1A1 4684/4885LMNA 384/4885POLB 215/4885

“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.