SCHEMBL2875841

SCHEMBL2875841

COCOc1cc2c(cc1[N+](=O)[O-])C(NCCc1ccccc1)C(O)C(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KCNH2 Q12809 1/20 0.41
ABCB1 P08183 3/20 0.40
TLR3 O15455 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL2875838 1.00 KCNA5 (0.42) KCNA5NPC1RAB9AKCNH2ABCB1
SCHEMBL2882213 0.87 NPC1 (0.48) KCNA5NPC1RAB9AKCNH2ABCB1
SCHEMBL2876618 0.87 NPC1 (0.48) KCNA5NPC1RAB9AKCNH2ABCB1
SCHEMBL2882211 0.87 NPC1 (0.48) KCNA5NPC1RAB9AKCNH2ABCB1
SCHEMBL2008933 0.84 ABCB1 (0.43) KCNA5ABCB1
SCHEMBL2008931 0.84 ABCB1 (0.43) KCNA5ABCB1
SCHEMBL2875628 0.84 ABCB1 (0.43) KCNA5ABCB1
SCHEMBL13476169 0.84 KCNA5 (0.46) KCNA5NPC1RAB9AKCNH2ABCB1
SCHEMBL2010832 0.82 TLR3 (0.41) NPC1RAB9ATLR3ALDH1A1MEN1
SCHEMBL2878110 0.82 TLR3 (0.41) NPC1RAB9ATLR3ALDH1A1MEN1

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
CN-102190661-B Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2013-07-31 CN disclosed
CN-1934116-B Tricyclic benzopyran compounds useful as antiarrhythmic agents NISSAN CHEMICAL IND LTD 2012-10-10 CN disclosed
CN-101429200-B Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2012-05-30 CN disclosed
CN-102190661-A Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2011-09-21 CN disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP 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
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
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
CN-101429200-A Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2009-05-13 CN disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
CN-1934116-A Tricyclic benzopyran compounds useful as antiarrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2007-03-21 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 (2 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 KCNA5 101/4885NPC1 3313/4885RAB9A 774/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A KCNA5 67/4885NPC1 3638/4885RAB9A 964/4885

“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.