SCHEMBL2877927

SCHEMBL2877927

COCOc1cc2c(cc1[N+](=O)[O-])[C@H](O)[C@@H](Br)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 2/20 0.39
KCNH2 Q12809 2/20 0.37
MAPT P10636 6/20 0.33
TTR P02766 1/20 0.33
ALDH1A1 P00352 8/20 0.32
CYP1A2 P05177 2/20 0.32
NFKB1 P19838 2/20 0.32
THPO P40225 2/20 0.32
PMP22 Q01453 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 2/20 0.32
ABCC4 O15439 1/20 0.32
PLIN1 O60240 1/20 0.32
CACNA1F O60840 1/20 0.32
GMNN O75496 1/20 0.32
KCNK2 O95069 1/20 0.32
ABCB11 O95342 1/20 0.32
GSR P00390 1/20 0.32
LMNA P02545 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
SCHEMBL2891151 1.00 TLR3 (0.39) TLR3KCNH2MAPTTTRALDH1A1
SCHEMBL9200696 0.88 KCNH2 (0.40) TLR3KCNH2MAPTTTRALDH1A1
SCHEMBL10348273 0.77 CYP1A2 (0.38) TLR3KCNH2MAPTALDH1A1CYP1A2
SCHEMBL10348274 0.77 CYP1A2 (0.38) TLR3KCNH2MAPTALDH1A1CYP1A2
SCHEMBL10348272 0.77 CYP1A2 (0.38) TLR3KCNH2MAPTALDH1A1CYP1A2
SCHEMBL2875838 0.76 KCNA5 (0.42) TLR3KCNH2MAPTALDH1A1KMT2A
SCHEMBL2875841 0.76 KCNA5 (0.42) TLR3KCNH2MAPTALDH1A1KMT2A
SCHEMBL9685149 0.76 CYP1A2 (0.52) KCNH2MAPTALDH1A1CYP1A2TDP1
SCHEMBL10888628 0.73 KCNH2 (0.44) KCNH2MAPTALDH1A1CYP1A2TDP1
SCHEMBL9743220 0.73 KCNH2 (0.44) KCNH2MAPTALDH1A1CYP1A2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP 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 (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-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A TLR3 3106/4885KCNH2 21/4885MAPT 4875/4885

“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.