SCHEMBL2011329

SCHEMBL2011329

CC1(C)C=Cc2c(ccc3nc(Cl)ccc23)O1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.41
PDE4D Q08499 1/20 0.38
BCHE P06276 4/20 0.36
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
HIF1A Q16665 6/20 0.35
ODC1 P11926 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
EPAS1 Q99814 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL2013649 0.79 PTPN1 (0.39) PTPN1PDE4DBCHEKDM4ECA12
SCHEMBL12580475 0.79 PTPN1 (0.39) PTPN1PDE4DBCHEKDM4ECA12
SCHEMBL2007471 0.75 HIF1A (0.45) PTPN1PDE4DBCHEKDM4EHIF1A
SCHEMBL4254656 0.69 PTPN1 (0.56) PTPN1PDE4DBCHEHIF1AODC1
SCHEMBL22951342 0.67 NR4A2 (0.40) BCHEKDM4EHIF1AACHE
SCHEMBL4251925 0.67 PTPN1 (0.57) PTPN1PDE4DBCHEHIF1AODC1
SCHEMBL30609580 0.67 BCHE (0.51) PTPN1PDE4DBCHEKDM4ECA12
SCHEMBL30860274 0.66 HIF1A (0.49) PTPN1BCHEHIF1AODC1ACHE
SCHEMBL9626803 0.65 HSD17B10 (0.48) PTPN1PDE4DBCHEKDM4ECA12
SCHEMBL16865540 0.65 PTPN1 (0.55) PTPN1PDE4DBCHEHIF1AODC1

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-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US 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-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 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
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-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
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (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 PTPN1 2950/4885PDE4D 4798/4885BCHE 1230/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A PTPN1 3160/4885PDE4D 4754/4885BCHE 1107/4885

“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.