SCHEMBL2010832

SCHEMBL2010832

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 5/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HTT P42858 2/20 0.38
GRIN2B Q13224 1/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
CYP19A1 P11511 1/20 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
SCHEMBL2878110 1.00 TLR3 (0.41) TLR3NPC1RAB9AALDH1A1MAPT
SCHEMBL2875838 0.82 KCNA5 (0.42) TLR3NPC1RAB9AALDH1A1MAPT
SCHEMBL2875841 0.82 KCNA5 (0.42) TLR3NPC1RAB9AALDH1A1MAPT
SCHEMBL7258461 0.73 TAAR1 (0.44) ALDH1A1MAPTTAAR1HTTGRIN2B
SCHEMBL2882211 0.69 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL2876618 0.69 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL2882213 0.69 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL2891151 0.68 TLR3 (0.39) TLR3NPC1RAB9AALDH1A1MAPT
SCHEMBL2877927 0.68 TLR3 (0.39) TLR3NPC1RAB9AALDH1A1MAPT
SCHEMBL11287989 0.68 ALDH1A1 (0.44) ALDH1A1MAPTTAAR1CTSDBACE1

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 9 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-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
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
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
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 TLR3 2250/4885NPC1 3313/4885RAB9A 774/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A TLR3 3106/4885NPC1 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.