SCHEMBL4714866

SCHEMBL4714866

[O]c1ncccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.58
POLB P06746 1/20 0.56
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 2/20 0.47
PAX8 Q06710 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CTSB P07858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47

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
SCHEMBL6512953 0.80 PDE10A (0.60) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL29940575 0.80 PDE10A (0.60) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL244559 0.78 HSP90AA1 (0.59) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL294121 0.78 PDE10A (0.58) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL13093318 0.78 PDE10A (0.63) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL29579675 0.78 PDE10A (0.58) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL57910 0.77 PDE10A (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1232447 0.77 PAX8 (0.58) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL653567 0.77 PDE10A (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9
SCHEMBL526500 0.77 PDE10A (0.56) PDE10APOLBALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
US-9234225-B2 Method for generating human milk oligosaccharides (HMOs) or precursors thereof GLYCOM A/S (DK) 2016-01-12 US disclosed
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GLYCOM A/S (DK) 2015-07-02 US disclosed
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2015-07-02 US disclosed
EP-2864492-A1 MODIFIED GALACTOOLIGOSACCHARIDES Glycom A/S (DK) 2015-04-29 EP disclosed
EP-2864344-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK Glycom A/S (DK) 2015-04-29 EP disclosed
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2014-08-21 US disclosed
EP-2707493-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF Glycom A/S (DK) 2014-03-19 EP disclosed
WO-2013190531-A1 GLYCOSYLATED GALACTOSYL DISACCHARIDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2013190529-A1 GLYCOSYLATED GALACTOSYL DISACCHARDDES, METHODS FOR THEIR PRODUCTION AND THEIR USE IN CONSUMABLE PRODUCTS GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2013190530-A1 MODIFIED GALACTOOLIGOSACCHARIDES GLYCOM A/S (DK) 2013-12-27 WO disclosed
WO-2012156897-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF GLYCOM A/S (DK) 2012-11-22 WO disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 US disclosed
CN-1680274-A Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INC (US) 2005-10-12 CN disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 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 (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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 PDE10A 1398/4885POLB 4658/4885ALDH1A1 596/4885
US-20150182549-A1 METHOD FOR ENZYMATIC GLYCOSYLATION OF OLIGOSACCHARIDES FROM MAMMALIAN ANIMAL MILK GALE, SI, FUT6 PDE10A 4136/4885POLB 1769/4885ALDH1A1 786/4885
US-20150183816-A1 MODIFIED GALACTOOLIGOSACCHARIDES FUT6, GALE, FUT5 PDE10A 3063/4885POLB 3227/4885ALDH1A1 1176/4885
US-20140234912-A1 METHOD FOR GENERATING HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF LCT, B4GALT1, GALNT1 PDE10A 4098/4885POLB 3097/4885ALDH1A1 2229/4885

“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.