SCHEMBL5014392

SCHEMBL5014392

O=C(c1cccc(-c2cccs2)n1)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
HPGD P15428 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
TP53 P04637 1/20 0.59
GNE Q9Y223 1/20 0.56
KDM4E B2RXH2 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
ERCC1 P07992 1/20 0.50
FEN1 P39748 1/20 0.50
ERCC4 Q92889 1/20 0.50
ADORA2A P29274 2/20 0.49
NR2E3 Q9Y5X4 2/20 0.46
PPARG P37231 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
SCHEMBL5014381 0.88 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL12753356 0.86 HSD11B1 (0.61) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5014405 0.80 GNE (0.55) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2932828 0.79 KDM4E (0.61) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2972148 0.77 KDM4E (0.63) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL9081166 0.76 KDM4E (0.61) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL4288302 0.75 NPC1 (0.97) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL5012797 0.74 HPGD (0.54) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2526391 0.74 NPC1 (1.00) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL4286617 0.74 NPC1 (1.00) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1831231-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 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-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 ALDH1A1 577/4885SMN1; SMN2 1210/4885HPGD 1807/4885

“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.