SCHEMBL6750268

SCHEMBL6750268

CCOC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
ALDH1A1 P00352 5/20 0.56
MITF O75030 2/20 0.56
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.53
HPGD P15428 2/20 0.53
GALR2 O43603 1/20 0.53
HSP90AA1 P07900 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 8/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 2/20 0.52
GAA P10253 1/20 0.52
CES2 O00748 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL14114749 0.88 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MITFLMNAPOLB
SCHEMBL7723906 0.88 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDMAPTTDP1
SCHEMBL426382 0.86 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1POLBHPGDMAPT
SCHEMBL16529634 0.86 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MITFLMNAPOLB
SCHEMBL5925545 0.85 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HPGDMAPTKDM4E
SCHEMBL6422578 0.85 KMT2A (0.65) SMN1; SMN2ALDH1A1MITFLMNAPOLB
SCHEMBL2126420 0.85 CA12 (0.62) SMN1; SMN2ALDH1A1MITFLMNAPOLB
SCHEMBL10426612 0.84 PKM (0.51) SMN1; SMN2ALDH1A1LMNAPOLBHPGD
SCHEMBL9420561 0.84 CES2 (0.50) SMN1; SMN2ALDH1A1POLBHPGDMAPT
SCHEMBL3092769 0.84 MAPT (0.55) SMN1; SMN2ALDH1A1MITFLMNAPOLB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN claimed
US-20040142946-A1 Modified nucleosides and nucleotides and use thereof CHATTOPADHYAYA JYOTI (SE) 2004-07-22 US claimed
EP-1332150-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF Chattopadhyaya, Jyoti (SE) 2003-08-06 EP claimed
WO-2002038578-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES AND USE THEREOF CHATTOPADHYAYA JYOTI (SE) 2002-05-16 WO claimed
US-5721350-A Deuterated nucleosides CHATTOPADHYAYA JYOTI (SE) 1998-02-24 US 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
CN-117776942-A Method for preparing diaminobenzoic acid based on dinitrobenzoic acid 清源创新实验室 2024-03-29 CN disclosed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 US disclosed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 US disclosed
CN-110713454-B Nitro-substituted indole compound and preparation method thereof 南京工业大学 2022-12-09 CN disclosed
WO-2021226076-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-11-11 WO disclosed
CN-110713454-A Nitro-substituted indole compound and preparation method thereof 南京工业大学 2020-01-21 CN disclosed
US-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 US disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed
EP-0272742-B1 METHOD FOR PREPARATION OF MERCAPTOBENZOATES STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) 1991-10-16 EP disclosed
EP-0272742-A1 Method for preparation of mercaptobenzoates STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) 1988-06-29 EP disclosed
US-4692545-A Method for preparation of mercaptobenzoates STAUFFER CHEMICAL COMPANY (US) 1987-09-08 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 (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-20040142946-A1 Modified nucleosides and nucleotides and use thereof RNASEH1, RNASEL, NSUN2 SMN1; SMN2 1974/4885ALDH1A1 4684/4885MITF 2324/4885
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION TLR5, SLC10A2, FNTB SMN1; SMN2 3077/4885ALDH1A1 3223/4885MITF 4430/4885

“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.