SCHEMBL2882585

SCHEMBL2882585

COc1cc2c(cc1[N+](=O)[O-])OC(C)(C)C1OC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.35
MAPT P10636 6/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
PRKDC P78527 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
TTR P02766 1/20 0.34
LMNA P02545 3/20 0.33
KMT2A Q03164 3/20 0.33
MCL1 Q07820 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL2882586 1.00 ALDH1A1 (0.38) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5989140 1.00 ALDH1A1 (0.38) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2887116 1.00 ALDH1A1 (0.38) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL3947551 1.00 ALDH1A1 (0.38) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2883779 1.00 ALDH1A1 (0.38) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL10347703 0.82 CYP1A2 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19KCNH2
SCHEMBL6982321 0.82 CYP1A2 (0.55) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL9742504 0.79 CYP1A2 (0.55) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL2891965 0.79 KCNH2 (0.40) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL5988133 0.79 KCNH2 (0.40) ALDH1A1TDP1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ALDH1A1 2252/4885TDP1 4038/4885CYP1A2 365/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 ALDH1A1 1146/4885TDP1 1794/4885CYP1A2 3/4885
US-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 ALDH1A1 2971/4885TDP1 4487/4885CYP1A2 529/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ALDH1A1 2087/4885TDP1 3969/4885CYP1A2 385/4885

“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.