SCHEMBL2004503

SCHEMBL2004503

C#CC(C)(C)Oc1ccc([N+](=O)[O-])c(OCOC)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 8/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ RECQL P46063 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
SCHEMBL7070030 0.80 MAPT (0.53) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31125240 0.77 ATM (0.46) MAPTKMT2ARAB9AALDH1A1LMNA
SCHEMBL16694332 0.77 GPR35 (0.45) MAPTKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5956180 0.76 NPC1 (0.50) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31254019 0.74 ALDH1A1 (0.41) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2069926 0.74 PARP1 (0.40) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2369186 0.72 ALDH1A1 (0.53) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22897608 0.72 MAPT (0.42) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31441975 0.72 MAPT (0.42) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1138887 0.71 ALDH1A1 (0.45) MAPTKMT2ANPC1RAB9ASMN1; SMN2

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 8 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
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-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

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 MAPT 4877/4885KMT2A 3664/4885NPC1 3313/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A MAPT 4875/4885KMT2A 3585/4885NPC1 3638/4885

“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.

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