SCHEMBL4414980

SCHEMBL4414980

COc1ccc(C(=O)N2CCc3cc(OC)cc(OC)c3C2c2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
GRIN2C Q14957 5/20 0.59
CA12 O43570 5/20 0.51
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA7 P43166 5/20 0.51
CA9 Q16790 5/20 0.51
CA14 Q9ULX7 5/20 0.51
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 3/20 0.48
FKBP1A P62942 1/20 0.46
MTNR1B P49286 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL4423052 0.91 GRIN2C (0.57) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4416765 0.91 KMT2A (0.51) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4421006 0.90 ABCG2 (0.51) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4552564 0.89 GRIN2C (0.64) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4423041 0.89 GRIN2C (0.54) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4425798 0.86 KIF11 (0.49) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4416858 0.84 GRIN2C (0.56) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4414665 0.83 GRIN2C (0.64) KMT2AMEN1GRIN2CLMNANPSR1
SCHEMBL4412546 0.83 GRIN2C (0.49) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL6505155 0.83 GRIN2C (0.53) KMT2AMEN1GRIN2CLMNANPSR1

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 KMT2A 1243/4885MEN1 4033/4885GRIN2C 567/4885

“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.