SCHEMBL3230228

SCHEMBL3230228

O=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
HTT P42858 4/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
ALOX12 P18054 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GPR132 Q9UNW8 1/20 0.58
NR4A2 P43354 1/20 0.55
SMPD1 P17405 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 2/20 0.51

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
SCHEMBL3230243 0.78 PPARA (0.54) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL19380041 0.78 TSHR (0.59) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL23747359 0.77 CNR1 (0.61) SMN1; SMN2NPC1RAB9AHTTPOLB
SCHEMBL5333738 0.77 TSHR (0.66) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL1680760 0.77 CYSLTR1 (0.52) SMN1; SMN2POLBKMT2AMEN1HPGD
SCHEMBL11626210 0.76 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL1574010 0.76 MAPK14 (0.64) SMN1; SMN2NPC1RAB9AHTTALDH1A1
Hydrochloric Acid SCHEMBL11623709 0.75 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL3230417 0.74 RAB9A (0.62) SMN1; SMN2NPC1RAB9AHTTALDH1A1
SCHEMBL11626590 0.74 POLB (0.74) SMN1; SMN2NPC1RAB9AHTTALDH1A1

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 4 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 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 SMN1; SMN2 3819/4885NPC1 511/4885RAB9A 1126/4885

“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.