SCHEMBL3376447

SCHEMBL3376447

Cc1nc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(F)c(C(=O)NC(C)C)c2)cn1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
AVPR1B P47901 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 6/20 0.36
CNR2 P34972 6/20 0.36
LMNA P02545 3/20 0.36
P2RX3 P56373 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
PTPN22 Q9Y2R2 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL303877 0.93 AVPR1B (0.33) AVPR2OXTRAVPR1AAVPR1BHTT
SCHEMBL2214141 0.93 SLC6A9 (0.36) AVPR2OXTRAVPR1AAVPR1BHTT
SCHEMBL312209 0.92 AVPR2 (0.41) AVPR2OXTRAVPR1AAVPR1BLMNA
SCHEMBL2214352 0.85 KDM4E (0.42) AVPR2OXTRAVPR1AAVPR1BHTT
SCHEMBL303136 0.84 HTT (0.38) HTTSMN1; SMN2CNR1CNR2LMNA
SCHEMBL303174 0.82 HTT (0.41) HTTSMN1; SMN2CNR1CNR2MAPT
SCHEMBL2188175 0.81 NPC1 (0.38) HTTSMN1; SMN2CNR1CNR2LMNA
SCHEMBL3381042 0.79 MEN1 (0.48) OXTRLMNAMAPTMEN1KMT2A
SCHEMBL303299 0.78 NAMPT (0.48) HTTSMN1; SMN2CNR1CNR2LMNA
SCHEMBL304042 0.77 MAPT (0.46) AVPR2OXTRAVPR1AAVPR1BLMNA

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 10 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
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US 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-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 (3 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 AVPR2 369/4885OXTR 510/4885AVPR1A 393/4885
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.