SCHEMBL4416809

SCHEMBL4416809

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(S(=O)(=O)c1c(C)noc1C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4422262 0.86 NPSR1 (0.40) CA1CA2CA9CA14NPSR1
SCHEMBL13973155 0.85 FPR2 (0.37) CA1CA2CA9CA14NPSR1
SCHEMBL4413385 0.85 FPR2 (0.37) CA1CA2CA9CA14NPSR1
SCHEMBL13972857 0.83 TAS2R14 (0.49) MEN1KMT2AALDH1A1HTTMMP1
SCHEMBL4552332 0.83 TAS2R14 (0.49) MEN1KMT2AALDH1A1HTTMMP1
SCHEMBL4415224 0.82 TSHR (0.40) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL4414666 0.81 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4410698 0.81 NPSR1 (0.41) KMT2AMAPTCA1CA2CA9
SCHEMBL4417162 0.80 SMN1; SMN2 (0.43) TP53MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4423028 0.80 CA1 (0.41) MEN1KMT2ATP53MAPK1ALDH1A1

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 MEN1 4033/4885KMT2A 1243/4885TP53 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.