SCHEMBL4425728

SCHEMBL4425728

COc1cc2c(c(OC)c1)C(c1ccc(O)cc1)N(C(=O)c1ccno1)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.43
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TRPV1 Q8NER1 2/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
PARP1 P09874 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL4416993 0.89 GRIN2C (0.45) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4416972 0.84 GRIN2C (0.41) GRIN2CMTNR1BALDH1A1MAPTHPGD
SCHEMBL4414980 0.82 KMT2A (0.60) GRIN2CMTNR1BMEN1KMT2ACA12
SCHEMBL4423041 0.80 GRIN2C (0.54) GRIN2CMTNR1BMEN1KMT2ACA12
SCHEMBL4421006 0.79 ABCG2 (0.51) GRIN2CMTNR1BMEN1KMT2ACA12
SCHEMBL4416765 0.78 KMT2A (0.51) GRIN2CMTNR1BALDH1A1MEN1KMT2A
SCHEMBL6505155 0.78 GRIN2C (0.53) GRIN2CMTNR1BHPGDSMN1; SMN2MEN1
SCHEMBL4423052 0.78 GRIN2C (0.57) GRIN2CMTNR1BMEN1KMT2ACA12
SCHEMBL13972856 0.78 GRIN2C (0.53) GRIN2CMTNR1BHPGDSMN1; SMN2MEN1
SCHEMBL4425798 0.78 KIF11 (0.49) GRIN2CALDH1A1MAPTHPGDSMN1; 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 3 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
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 US 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 GRIN2C 567/4885MTNR1B 569/4885ALDH1A1 3171/4885

“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.