SCHEMBL312209

SCHEMBL312209

Cc1nc(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)c(C(=O)NC(C)C)c2)cn1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
AVPR1B P47901 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 3/20 0.38
MCL1 Q07820 5/20 0.38
NAMPT P43490 1/20 0.37
RAB9A P51151 1/20 0.37
BCL2L1 Q07817 1/20 0.37
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGES O14684 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3376447 0.92 AVPR2 (0.37) AVPR2OXTRAVPR1AAVPR1BMAPT
SCHEMBL3381042 0.87 MEN1 (0.48) OXTRMAPTTP53MCL1NAMPT
SCHEMBL2214141 0.85 SLC6A9 (0.36) AVPR2OXTRAVPR1AAVPR1BMAPT
SCHEMBL303877 0.85 AVPR1B (0.33) AVPR2OXTRAVPR1AAVPR1BMAPT
SCHEMBL304042 0.85 MAPT (0.46) AVPR2OXTRAVPR1AAVPR1BMAPT
SCHEMBL303671 0.84 MAPT (0.43) MAPTTP53MCL1NAMPTRAB9A
SCHEMBL18487096 0.84 MEN1 (0.46) OXTRMAPTMCL1BCL2L1PTGES
SCHEMBL3377911 0.82 MAPT (0.54) MAPTTP53MCL1BCL2L1PTGES
SCHEMBL304444 0.81 MAPT (0.43) MAPTMCL1BCL2L1LMNAPTGES
SCHEMBL303235 0.81 MAPT (0.41) MAPTTP53MCL1NAMPTBCL2L1

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 13 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 claimed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US claimed
JP-2012500836-A 2012-01-12 JP claimed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP claimed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO 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-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 AVPR2 375/4885OXTR 206/4885AVPR1A 527/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 AVPR2 369/4885OXTR 510/4885AVPR1A 393/4885

“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.