SCHEMBL3226550

SCHEMBL3226550

O=C(NCc1ccc(Cl)cc1)c1cccc(N2CCOCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.61
HDAC1 Q13547 3/20 0.61
KMO O15229 1/20 0.55
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
PLOD2 O00469 2/20 0.52
PLOD3 O60568 2/20 0.52
PLOD1 Q02809 2/20 0.52
KLKB1 P03952 1/20 0.52
KLK1 P06870 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
PSMD14 O00487 1/20 0.50
STAMBP O95630 1/20 0.50
COPS5 Q92905 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PRMT5 O14744 1/20 0.50

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
SCHEMBL3278485 0.89 MAPK1 (0.65) KDM1AHDAC1KMOALDH1A1MAPK1
SCHEMBL3263684 0.85 KDM1A (0.50) KDM1AHDAC1LMNAMAPK1PLOD2
SCHEMBL3262609 0.85 KDM1A (0.49) KDM1AHDAC1LMNAMAPK1PLOD2
SCHEMBL3263275 0.81 TSHR (0.50) KDM1AHDAC1ALDH1A1
SCHEMBL13702280 0.80 KMO (0.63) KDM1AHDAC1KMOLMNAALDH1A1
SCHEMBL5333738 0.79 TSHR (0.66) LMNAALDH1A1MAPK1SMN1; SMN2HTT
SCHEMBL14697008 0.79 KMO (0.68) KDM1AHDAC1KMOLMNAALDH1A1
SCHEMBL15328286 0.78 RXFP1 (0.48) LMNAALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL3230238 0.77 NPC1 (0.80) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3237117 0.77 NPC1 (0.56) LMNAALDH1A1SMN1; SMN2HTTNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 EP claimed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US claimed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US claimed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO claimed
EP-2334637-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
US-8372840-B2 Potassium channel blockers XENTION LIMITED (GB) 2013-02-12 US disclosed
US-20100087438-A1 New Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023446-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 WO 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 (1 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-20100087438-A1 New Potassium Channel Blockers KCNJ2, KCNB1, KCNJ11 KDM1A 421/4885HDAC1 852/4885KMO 638/4885

“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.