SCHEMBL58862

SCHEMBL58862

CCc1ccc[c]c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 1/20 0.31
RORC P51449 1/20 0.31
PDK1 Q15118 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL1173930 0.87 ALDH1A1 (0.33) MEN1KMT2AHTTALDH1A1POLB
SCHEMBL1173502 0.84 ALDH1A1 (0.34) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL6446509 0.83 LIPG (0.39)
SCHEMBL16957068 0.83 ALDH1A1 (0.39) LMNASMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL27806339 0.83 LOXL2 (0.37) LMNAALDH1A1TSHRHPGD
SCHEMBL27946150 0.82 ALDH1A1 (0.33) HTTALDH1A1TSHRMAPTHPGD
SCHEMBL3794043 0.82 LIPG (0.41)
SCHEMBL10663040 0.82 LIPG (0.41)
SCHEMBL10746013 0.80 TAAR1 (0.37) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL29015148 0.80 ALDH1A1 (0.33) ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
EP-2644599-B1 Method for preparing a 2-halo-4-nitroimidazole compound OTSUKA PHARMA CO LTD (JP) 2014-12-10 EP disclosed
US-7807843-B2 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-05 US disclosed
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. 2008-08-21 US disclosed
US-7368579-B2 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same OTSUKA PHARMACEUTICAL CO. LTD. 2008-04-24 US disclosed
CN-1326840-C 1-substituted-4-nitroimidazole compounds and process for preparing same OTSUKA PHARMA CO LTD (JP) 2007-07-18 CN disclosed
US-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-13 US disclosed
CN-1692103-A 1-substituted-4-nitroimidazole compounds and process for preparing same OTSUKA PHARMA CO LTD (JP) 2005-11-02 CN disclosed
EP-1553088-A1 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME Otsuka Pharmaceutical Company, Limited (JP) 2005-07-13 EP disclosed
CN-1046761-C Novel ortho-substituted phenylboronic acids for inhibiting proteases and liquid detergents containing same PROCTER & GAMBLE (US) 1999-11-24 CN disclosed
CN-1134170-A Liquid detergents with ortho-substd. phenylboronic acids for inhibition of proteolytic enzyme PROCTER & GAMBLE (US) 1996-10-23 CN 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 (5 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-20060079697-A1 1-substituted-4-nitroimidazole compound and process for producing the same CBR1, CBR3, DCXR MEN1 3073/4885KMT2A 1292/4885HTT 3956/4885
US-20080200689-A1 1-Substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR MEN1 2625/4885KMT2A 1236/4885HTT 4148/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 MEN1 1191/4885KMT2A 1081/4885HTT 2016/4885
US-20080097107-A1 1-substituted-4-nitroimidazole compound and method for preparing the same CBR1, CBR3, DCXR MEN1 2625/4885KMT2A 1236/4885HTT 4148/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX MEN1 4770/4885KMT2A 2596/4885HTT 3396/4885

“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.