SCHEMBL95482

SCHEMBL95482

O=[N+]([O-])c1cc([N+](=O)[O-])c(CCO)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
MAPK1 P28482 4/20 0.53
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
HTT P42858 3/20 0.53
POLB P06746 1/20 0.51
GPR35 Q9HC97 5/20 0.50
TSHR P16473 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TTR P02766 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 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
SCHEMBL9318057 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL9687565 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL8744302 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL10716436 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL11774795 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL3910018 0.78 GPR35 (0.50) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL7159890 0.78 GPR35 (0.54) ALDH1A1KMT2AMEN1TDP1GPR35
SCHEMBL679338 0.77 CYP1A2 (0.65) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL30291130 0.77 CYP1A2 (0.65) ALDH1A1KMT2AMEN1MAPK1MAPT
SCHEMBL10577811 0.77 HTT (0.56) ALDH1A1KMT2AMEN1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119643754-A Method for detecting specific gas concentration in explosion dangerous place 中国科学院声学研究所 2025-03-18 CN disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-0136668-B1 PROCESSES FOR PRODUCING ALPHA-FLUOROACRYLIC ACID ESTERS AND ALPHA-FLUOROACRYLIC ACID FLUORIDE Daikin Kogyo Co., Ltd. (JP) 1987-12-09 EP disclosed
US-H234-H Energetic derivatives of a novel diol and methods for their syntheses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1987-03-03 US disclosed
US-H106-H Novel energetic sulfate salts and a process for their preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1986-08-05 US disclosed
US-4604482-A Processes for producing α-fluoroacrylic acid esters and α-fluoroacrylic acid fluoride DAIKIN KOGYO CO., LTD. (JP) 1986-08-05 US disclosed
EP-0136668-A2 Processes for producing alpha-fluoroacrylic acid esters and alpha-fluoroacrylic acid fluoride Daikin Kogyo Co., Ltd. (JP) 1985-04-10 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 (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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB ALDH1A1 2948/4885KMT2A 1059/4885MEN1 4401/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KMT2A 2732/4885MEN1 3912/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KMT2A 2732/4885MEN1 3912/4885

“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.