SCHEMBL3379780

SCHEMBL3379780

CCNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1.CNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1.COCCNC(=O)c1cccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccn(C)n2)c1.Cn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C(=O)NC3CC3)c2)n1.Cn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(C(=O)NC3CCC3)c2)n1.O=C(Nc1cccc(C(=O)N2CCC2)c1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.38
ADRB2 P07550 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR3 P49682 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
SCN9A Q15858 2/20 0.33
GCK P35557 1/20 0.33
KCNH2 Q12809 1/20 0.33
BCHE P06276 1/20 0.33
ANO1 Q5XXA6 1/20 0.33

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
SCHEMBL3376966 0.90 ACKR3 (0.38) ACKR3ADRB2MEN1KMT2ACXCR3
SCHEMBL303294 0.81 MEN1 (0.47) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL3377043 0.80 MEN1 (0.47) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL304191 0.80 LMNA (0.37) KMT2ASCN9A
SCHEMBL303882 0.79 KMT2A (0.40) MEN1KMT2ACXCR3
SCHEMBL302949 0.79 MEN1 (0.49) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL2214837 0.79 MEN1 (0.44) ADRB2MEN1KMT2APSEN1PSEN2
SCHEMBL2214713 0.77 MEN1 (0.45) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL18487077 0.77 LMNA (0.46) MEN1KMT2A
SCHEMBL303301 0.77 MEN1 (0.41) MEN1KMT2ACXCR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 ACKR3 2394/4885ADRB2 220/4885MEN1 608/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 ACKR3 612/4885ADRB2 42/4885MEN1 2747/4885

“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.