SCHEMBL4424375

SCHEMBL4424375

COc1cc2c(c(OC)c1)C(C)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
NCOA1 Q15788 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
NCOA3 Q9Y6Q9 1/20 0.71
GRIN2C Q14957 4/20 0.60
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.54
MTNR1B P49286 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL4414665 0.81 GRIN2C (0.64) GRIN2CNPSR1LMNAKMT2AMAPT
SCHEMBL4413282 0.78 CA1 (0.49) HTTNCOA1SMN1; SMN2NCOA3LMNA
SCHEMBL4422031 0.75 KMT2A (0.56) HTTNCOA1SMN1; SMN2NCOA3GRIN2C
SCHEMBL7902279 0.75 GRIN2C (1.00) HTTNCOA1SMN1; SMN2NCOA3GRIN2C
SCHEMBL4416142 0.75 GRIN2C (0.55) GRIN2CKMT2AMTNR1B
SCHEMBL4423041 0.73 GRIN2C (0.54) GRIN2CKMT2AMTNR1B
SCHEMBL30914581 0.72 MAPK1 (0.65) HTTNCOA1SMN1; SMN2NCOA3GRIN2C
SCHEMBL1219835 0.71 SMN1; SMN2 (0.72) HTTNCOA1SMN1; SMN2NCOA3GRIN2C
SCHEMBL4416149 0.69 MTNR1B (0.45) SMN1; SMN2GRIN2CKMT2AMTNR1BRXFP1
SCHEMBL7894638 0.69 GRIN2C (1.00) GRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
EP-1663983-A1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2006-06-07 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 US disclosed
WO-2004113302-A1 N-SUBSTITUTED 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2004-12-29 WO disclosed
EP-1489071-A1 N-substituted, 3,4-dihydro-1H-isoquinoline as potassium channels modulators 4SC AG (DE) 2004-12-22 EP 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 HTT 1037/4885NCOA1 1192/4885SMN1; SMN2 4121/4885

“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.