SCHEMBL3380989

SCHEMBL3380989

O=C(NCc1ccccc1)c1cccc(C(=O)N2CCOC(c3ccccc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 1/20 0.44
PRMT5 O14744 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL20394937 0.90 ALDH1A1 (0.51) KDM1AMAOAHDAC2HDAC8HDAC6
SCHEMBL3380995 0.85 CNR2 (0.46) HDAC8HDAC6MAPK1HPGDRAB9A
SCHEMBL20394939 0.85 PRMT5 (0.47) HDAC6MAPK1HPGDRAB9AHSD17B10
SCHEMBL3275571 0.84 NPC1 (0.52) RAB9AALDH1A1SMN1; SMN2
SCHEMBL3379271 0.82 MAPK1 (0.65) HDAC2HDAC8HDAC6MAPK1HPGD
SCHEMBL3379826 0.81 KDM1A (0.56) KDM1AMAOAHDAC2HDAC8HDAC6
SCHEMBL1710855 0.80 SLC6A7 (0.53) MAPK1HPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL20394940 0.79 NAMPT (0.45) HDAC8HDAC6RAB9A
SCHEMBL3378993 0.75 LMNA (0.48) HPGDALDH1A1SMN1; SMN2
SCHEMBL3376238 0.74 LMNA (0.50) HPGDALDH1A1

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 KDM1A 276/4885MAOA 2414/4885HDAC2 776/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 KDM1A 2555/4885MAOA 2042/4885HDAC2 620/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 KDM1A 276/4885MAOA 2414/4885HDAC2 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.