SCHEMBL4413282

SCHEMBL4413282

COc1cc2c(c(OC)c1)C(C)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 5/20 0.47
FKBP1A P62942 2/20 0.47
MAPK1 P28482 1/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.45
THRB P10828 2/20 0.45
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
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL13973059 0.85 CA1 (0.49) CA1CA2CA9CA14MEN1
SCHEMBL4421998 0.84 CA1 (0.46) CA1CA2CA9CA14MEN1
SCHEMBL4414695 0.81 CA1 (0.49) CA1CA2CA9CA14MEN1
SCHEMBL13972643 0.79 MEN1 (0.64) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL4424375 0.78 HTT (0.71) KMT2ALMNAHTTNCOA1SMN1; SMN2
SCHEMBL4414414 0.74 KMT2A (0.45) MEN1KMT2AFKBP1ALMNAMAPT
SCHEMBL14427607 0.72 LMNA (0.69) CA1CA2CA9CA14MEN1
SCHEMBL4418789 0.71 VCAM1 (0.47) CA1CA2CA9CA14MEN1
SCHEMBL16169931 0.69 ACHE (0.73) MEN1KMT2APOLBALDH1A1FKBP1A
SCHEMBL4414803 0.69 VCAM1 (0.41) CA1CA2CA9CA14MEN1

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
US-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 US disclosed
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 (2 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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER KCNMA1, KCNMB1, KCNA1 CA1 3947/4885CA2 1222/4885CA9 3760/4885
US-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 CA1 2370/4885CA2 335/4885CA9 1422/4885

“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.