SCHEMBL3275571

SCHEMBL3275571

O=C(NCc1ccc(F)cc1)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
TLR2 O60603 1/20 0.51
TLR1 Q15399 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NAMPT P43490 2/20 0.47
PRKAA2 P54646 1/20 0.47
CXCR4 P61073 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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 0.93 ALDH1A1 (0.51) RAB9ATLR2TLR1KMT2AMEN1
SCHEMBL3275575 0.88 NPC1 (0.52) NPC1RAB9AATMTLR2TLR1
SCHEMBL3380989 0.84 KDM1A (0.51) RAB9AALDH1A1SMN1; SMN2
SCHEMBL20394939 0.83 PRMT5 (0.47) NPC1RAB9AATMTLR2TLR1
SCHEMBL20236268 0.81 SMN1; SMN2 (0.45) NPC1KMT2AMEN1NAMPTALDH1A1
SCHEMBL20394970 0.81 RAB9A (0.71) NPC1RAB9AATMTLR2TLR1
SCHEMBL1710855 0.80 SLC6A7 (0.53) NPC1RAB9AATMTLR2TLR1
SCHEMBL20394940 0.77 NAMPT (0.45) NPC1RAB9AATMKMT2AMEN1
SCHEMBL20237203 0.76 SMN1; SMN2 (0.41) NPC1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL302980 0.76 NPC1 (0.48) NPC1RAB9AATMKMT2AMEN1

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-2344456-B1 NOVEL POTASSIUM CHANNEL BLOCKER JAPAN TOBACCO INC (JP) 2018-07-25 EP disclosed
US-8258138-B2 Potassium channel blockers XENTION LIMITED (GB) 2012-09-04 US disclosed
US-20100087437-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 (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-20100087437-A1 Novel Potassium Channel Blockers KCNB1, KCNJ2, KCNJ11 NPC1 474/4885RAB9A 2125/4885ATM 4027/4885

“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.