SCHEMBL3278554

SCHEMBL3278554

O=C(NCc1ccccc1)c1cccc(N2CCCC2=O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.79
RAB9A P51151 6/20 0.79
LMNA P02545 2/20 0.71
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
TSHR P16473 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
GFER P55789 2/20 0.66
GAA P10253 1/20 0.66
ALDH1A1 P00352 5/20 0.66
HPGD P15428 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
USP2 O75604 1/20 0.64
MAPT P10636 2/20 0.63
POLB P06746 2/20 0.57

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
SCHEMBL3230238 0.90 NPC1 (0.80) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4234210 0.83 NPC1 (0.61) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4051831 0.81 CHRM3 (0.70)
SCHEMBL30281223 0.80 ALDH1A1 (1.00) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL351439 0.80 ALDH1A1 (1.00) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL743304 0.80 MEN1 (1.00) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL15834282 0.79 GAA (0.63) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL14073127 0.78 TSHR (0.58) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL15789002 0.78 ALDH1A1 (0.94) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL3278560 0.78 GAA (0.57) NPC1RAB9ALMNAMEN1KMT2A

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 3 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 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.