SCHEMBL4552310

SCHEMBL4552310

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(C(=O)c1cc(C)nn1C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN2C Q14957 3/20 0.40
MTNR1B P49286 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
MAPK7 Q13164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4423047 0.85 GRIN2C (0.51) KMT2AMEN1GRIN2CMTNR1BCA12
SCHEMBL4413447 0.84 KMT2A (0.55) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4416192 0.84 GRIN2C (0.47) KMT2AMEN1GRIN2CMTNR1BCA12
SCHEMBL4418256 0.84 KMT2A (0.52) KMT2AMEN1GRIN2CCA12CA1
SCHEMBL4417027 0.84 MTNR1B (0.47) KMT2AMEN1GRIN2CMTNR1BCA12
SCHEMBL4418264 0.84 MTNR1B (0.52) KMT2AMEN1GRIN2CMTNR1BNPSR1
SCHEMBL6505108 0.82 GRIN2C (0.40) KMT2AMEN1L3MBTL1GRIN2CMTNR1B
SCHEMBL4416972 0.82 GRIN2C (0.41) KMT2AMEN1GRIN2CMTNR1BCA12
SCHEMBL6509279 0.82 GRIN2C (0.52) KMT2AMEN1GRIN2CMTNR1BCA12
SCHEMBL4415224 0.82 TSHR (0.40) KMT2AMEN1GRIN2CMTNR1BCA12

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 2 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

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 4033/4885KDM4E 811/4885

“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.