Sugi Predict

Sugi Predict / Compounds / SCHEMBL2880124

SCHEMBL2880124

SCHEMBL2880124

COc1cc2c(cc1[N+](=O)[O-])OC(C)(C)C(O)C2OC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ GRIN3A Q8TCU5 2/20 0.34
▸ TLR3 O15455 1/20 0.34
▸ ABCC9 O60706 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TTR P02766 2/20 0.33
▸ GAA P10253 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
SCHEMBL2891183 1.00 KCNH2 (0.40) KCNH2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL2880126 1.00 KCNH2 (0.40) KCNH2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL2891965 0.82 KCNH2 (0.40) KCNH2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL5988133 0.82 KCNH2 (0.40) KCNH2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL2891967 0.82 KCNH2 (0.40) KCNH2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL2880116 0.82 ABCC9 (0.39) ALDH1A1ABCC9LMNAHTT
SCHEMBL2880113 0.82 ABCC9 (0.39) ALDH1A1ABCC9LMNAHTT
SCHEMBL5988534 0.81 ABCC9 (0.35) KCNH2ABCC9
SCHEMBL5988536 0.81 ABCC9 (0.35) KCNH2ABCC9
SCHEMBL5988200 0.80 ABCC9 (0.35) ABCC9

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
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-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 — — US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 — — EP disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 — — EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 — — WO 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 (1 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 KCNH2 49/4885KMT2A 2949/4885MEN1 3048/4885

“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.