SCHEMBL4418437

SCHEMBL4418437

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.46
MTNR1B P49286 3/20 0.45
TP53 P04637 1/20 0.42
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FKBP1A P62942 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4420501 0.84 MTNR1B (0.51) GRIN2CMTNR1BTP53ALDH1A1LMNA
SCHEMBL4423040 0.84 LMNA (0.51) GRIN2CMTNR1BTP53PARP1ALDH1A1
SCHEMBL4413412 0.83 LMNA (0.51) GRIN2CMTNR1BTP53PARP1ALDH1A1
SCHEMBL4414980 0.81 KMT2A (0.60) GRIN2CMTNR1BTP53LMNANPSR1
SCHEMBL4423041 0.78 GRIN2C (0.54) GRIN2CMTNR1BTP53MEN1KMT2A
SCHEMBL4413283 0.78 MTNR1B (0.46) GRIN2CMTNR1BPARP1MEN1KMT2A
SCHEMBL4552686 0.77 MTNR1B (0.45) GRIN2CMTNR1BPARP1MEN1KMT2A
SCHEMBL13972859 0.77 MTNR1B (0.45) GRIN2CMTNR1BPARP1MEN1KMT2A
SCHEMBL4423052 0.77 GRIN2C (0.57) GRIN2CMTNR1BLMNANPSR1MEN1
SCHEMBL4416765 0.77 KMT2A (0.51) GRIN2CMTNR1BALDH1A1LMNAHTT

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 4 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

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 GRIN2C 567/4885MTNR1B 569/4885TP53 4194/4885

“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.