SCHEMBL3379277

SCHEMBL3379277

O=C(c1cccc(NCc2ccccc2)c1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
GAA P10253 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 3/20 0.56
KDM4E B2RXH2 1/20 0.56
NTRK1 P04629 2/20 0.56
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
EPHX2 P34913 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
RAB9A P51151 1/20 0.52
PARP1 P09874 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
SCHEMBL22387485 0.93 ALDH1A1 (0.60) ALDH1A1GAAPOLBMAPK1SMN1; SMN2
SCHEMBL28640771 0.85 RXFP1 (0.56) ALDH1A1GAAPOLBMAPK1SMN1; SMN2
SCHEMBL30575483 0.85 RXFP1 (0.56) ALDH1A1GAAPOLBMAPK1SMN1; SMN2
SCHEMBL3379271 0.82 MAPK1 (0.65) ALDH1A1MAPK1SMN1; SMN2HPGDTSHR
SCHEMBL3380995 0.82 CNR2 (0.46) ALDH1A1GAAPOLBMAPK1SMN1; SMN2
SCHEMBL3379832 0.82 PARP1 (0.53) MAPK1SMN1; SMN2TSHRL3MBTL1RAB9A
SCHEMBL911349 0.80 MGLL (0.53) ALDH1A1GAAPOLBMAPK1SMN1; SMN2
SCHEMBL3377142 0.79 ALDH1A1 (0.68) ALDH1A1MAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL15387042 0.79 ALDH1A1 (0.60) ALDH1A1GAAPOLBMAPK1SMN1; SMN2
SCHEMBL15386531 0.79 ALDH1A1 (0.63) ALDH1A1GAAPOLBMAPK1SMN1; SMN2

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 ALDH1A1 1360/4885GAA 3591/4885POLB 4531/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 ALDH1A1 3795/4885GAA 4586/4885POLB 4553/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 ALDH1A1 1360/4885GAA 3591/4885POLB 4531/4885

“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.