SCHEMBL1491791

SCHEMBL1491791

CCOP(=O)(OCC)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.45
SIRT6 Q8N6T7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
MAPT P10636 3/20 0.39
CYP2D6 P10635 1/20 0.39
CHEK1 O14757 3/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL6118956 0.89 ALDH1A1 (0.49) NPSR1ALDH1A1TDP1LMNAMAPT
SCHEMBL11916219 0.87 ALDH1A1 (0.44) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL517700 0.86 ALDH1A1 (0.43) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL1491795 0.80 ALDH1A1 (0.54) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL518060 0.79 ALDH1A1 (0.50) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL3888534 0.79 ALDH1A1 (0.50) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL2032817 0.78 ALDH1A1 (0.43) ALDH1A1TDP1LMNASIRT6L3MBTL1
Hydrochloric Acid SCHEMBL29212494 0.78 ALDH1A1 (0.49) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL25734359 0.77 CCNT1 (0.44) NPSR1TDP1L3MBTL1CCNT1CDK9
SCHEMBL8471192 0.77 CCNT1 (0.41) NPSR1ALDH1A1TDP1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
CN-113614086-A Pyrrolopyrimidine derivative and pharmaceutical composition for preventing or treating protein kinase-associated diseases comprising the same as active ingredient 沃若诺伊公司 2021-11-05 CN disclosed
EP-2300013-B1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2017-09-06 EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
EP-2300013-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-03-30 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 (8 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-20140066406-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 NPSR1 2306/4885ALDH1A1 4707/4885TDP1 2009/4885
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 NPSR1 2845/4885ALDH1A1 4677/4885TDP1 2392/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 NPSR1 3006/4885ALDH1A1 4769/4885TDP1 2783/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 NPSR1 3531/4885ALDH1A1 3173/4885TDP1 2201/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 NPSR1 4634/4885ALDH1A1 2527/4885TDP1 412/4885
US-20130225527-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 NPSR1 2306/4885ALDH1A1 4707/4885TDP1 2009/4885
US-20130225528-A1 Phosphorus Derivatives as Kinase Inhibitors PHKA1, PIK3CA, PHKA2 NPSR1 2306/4885ALDH1A1 4707/4885TDP1 2009/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 NPSR1 3531/4885ALDH1A1 3173/4885TDP1 2201/4885

“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.