SCHEMBL3379271

SCHEMBL3379271

O=C(NCc1ccccc1)c1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 3/20 0.60
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
PRMT5 O14744 2/20 0.57
ROCK2 O75116 1/20 0.56
CNR2 P34972 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 1/20 0.53
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL13702272 0.83 L3MBTL1 (0.58) ALDH1A1PRMT5WDR77SMN1; SMN2TSHR
SCHEMBL3278485 0.82 MAPK1 (0.65) MAPK1ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL3379277 0.82 ALDH1A1 (0.60) MAPK1ALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL3380989 0.82 KDM1A (0.51) MAPK1ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL3379826 0.82 KDM1A (0.56) MAPK1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL11900328 0.81 HDAC6 (0.87) ALDH1A1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL10720509 0.81 L3MBTL1 (0.71) MAPK1ALDH1A1TSHRHPGDMEN1
SCHEMBL22387485 0.80 ALDH1A1 (0.60) MAPK1ALDH1A1HDAC8HDAC6SMN1; SMN2
SCHEMBL3377135 0.79 ALDH1A1 (0.72) MAPK1ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL13853835 0.79 TP53 (0.56) ALDH1A1ROCK2SMN1; SMN2TSHRHPGD

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 7 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-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 MAPK1 1825/4885ALDH1A1 1360/4885HDAC2 776/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 MAPK1 3763/4885ALDH1A1 3795/4885HDAC2 620/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MAPK1 1825/4885ALDH1A1 1360/4885HDAC2 776/4885

“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.