SCHEMBL3378121

SCHEMBL3378121

CC(C)NC(=O)c1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCN3C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
HTR6 P50406 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL3377457 0.93 MAPT (0.40) MAPTLMNAALDH1A1HTR1AHTR2A
SCHEMBL3376229 0.87 ALDH1A1 (0.53) MAPTLMNAALDH1A1L3MBTL1
SCHEMBL3377134 0.87 KMT2A (0.42) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL2210474 0.85 MEN1 (0.42) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3377040 0.85 LMNA (0.48) LMNAALDH1A1HTR1AHTR2AHTR2C
SCHEMBL302098 0.83 KEAP1 (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL302225 0.80 LMNA (0.60) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL302970 0.80 LMNA (0.59) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL303267 0.80 KLKB1 (0.37) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL302774 0.79 HTR2C (0.58) ALDH1A1HTR1AHTR2AHTR2CHTR7

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 MAPT 2884/4885LMNA 1619/4885ALDH1A1 1360/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 MAPT 4874/4885LMNA 2145/4885ALDH1A1 3795/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MAPT 2884/4885LMNA 1619/4885ALDH1A1 1360/4885

“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.