SCHEMBL4422031

SCHEMBL4422031

COc1cc2c(c(OC)c1)C(c1ccc(-c3ccccc3)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
LMNA P02545 2/20 0.56
GRIN2C Q14957 1/20 0.53
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 3/20 0.48
MAPK1 P28482 1/20 0.46
MTNR1B P49286 1/20 0.46
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45

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
SCHEMBL4552564 0.90 GRIN2C (0.64) KMT2ANPSR1LMNAGRIN2CCA12
SCHEMBL4423052 0.88 GRIN2C (0.57) KMT2ANPSR1LMNAGRIN2CCA12
SCHEMBL4414441 0.86 GRIN2C (0.54) KMT2AGRIN2CCA12CA1CA2
SCHEMBL4414785 0.85 GRIN2C (0.54) KMT2AGRIN2CCA12CA1CA2
SCHEMBL4415216 0.84 GRIN2C (0.55) KMT2ANPSR1LMNAGRIN2CCA12
SCHEMBL13973320 0.83 GRIN2C (0.54) KMT2AGRIN2CCA12CA1CA2
SCHEMBL4411409 0.82 GRIN2C (0.64) KMT2AGRIN2CCA12CA1CA2
SCHEMBL4422046 0.81 GRIN2C (0.51) KMT2AGRIN2CCA12CA1CA2
SCHEMBL4414980 0.79 KMT2A (0.60) KMT2ANPSR1LMNAGRIN2CCA12
SCHEMBL30597450 0.77 KMT2A (0.66) KMT2ANPSR1LMNACA12CA1

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 KMT2A 1243/4885NPSR1 155/4885LMNA 4519/4885

“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.