SCHEMBL3237117

SCHEMBL3237117

O=C(NCc1ccc(Cl)cc1)c1cccc(N2CCNC2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.49
CHRM3 P20309 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
METAP2 P50579 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL3262739 0.86 POLB (0.47) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL3230238 0.82 NPC1 (0.80) NPC1RAB9ALMNAMAPTTSHR
SCHEMBL5260346 0.81 RAB9A (0.46) NPC1RAB9ALMNAPOLBHTT
SCHEMBL1966538 0.79 LMNA (0.42) NPC1RAB9ALMNAMAPTKMT2A
SCHEMBL5260117 0.79 CNR1 (0.54) NPC1RAB9A
SCHEMBL12460082 0.79 CHRM3 (0.47) LMNACHRM3
SCHEMBL5333738 0.78 TSHR (0.66) NPC1RAB9ALMNATSHRPOLB
SCHEMBL3226550 0.77 KDM1A (0.61) NPC1RAB9ALMNAALDH1A1HTT
SCHEMBL1330119 0.74 ALDH1A1 (0.67) NPC1RAB9ALMNATSHRPOLB
SCHEMBL30422164 0.74 ALDH1A1 (0.61) NPC1RAB9AMAPTTSHRPOLB

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-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

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 NPC1 511/4885RAB9A 1126/4885LMNA 1376/4885

“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.