SCHEMBL4425798

SCHEMBL4425798

COc1cc2c(c(OC)c1)C(c1ccc(O)cc1)N(C(=O)c1ccc3c(c1)OCO3)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GRIN2C Q14957 4/20 0.46
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4414980 0.86 KMT2A (0.60) MEN1KMT2AGRIN2CTP53CA12
SCHEMBL4423041 0.84 GRIN2C (0.54) MEN1KMT2AGRIN2CTP53CA12
SCHEMBL4416765 0.82 KMT2A (0.51) MEN1KMT2AGRIN2CALDH1A1CA12
SCHEMBL4423052 0.82 GRIN2C (0.57) MEN1KMT2AGRIN2CCA12CA1
SCHEMBL4421006 0.81 ABCG2 (0.51) MEN1KMT2AGRIN2CROCK2CA12
SCHEMBL4416858 0.79 GRIN2C (0.56) MEN1KMT2AGRIN2CCA12CA1
SCHEMBL4412546 0.79 GRIN2C (0.49) MEN1KMT2AGRIN2CTP53CA12
SCHEMBL4425728 0.78 GRIN2C (0.43) MEN1KMT2AGRIN2CALDH1A1HPGD
SCHEMBL6505155 0.77 GRIN2C (0.53) MEN1KMT2AGRIN2CHPGDSMN1; SMN2
SCHEMBL13972856 0.77 GRIN2C (0.53) MEN1KMT2AGRIN2CHPGDSMN1; 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 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 KIF11 2408/4885MEN1 4033/4885KMT2A 1243/4885

“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.