SCHEMBL5012797

SCHEMBL5012797

O=C(c1ccnc(-c2cccs2)c1)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
ADORA2A P29274 2/20 0.54
ABL1 P00519 4/20 0.52
BCR P11274 4/20 0.52
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.47
ERCC1 P07992 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NR2E3 Q9Y5X4 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
SCHEMBL5012763 0.88 SMN1; SMN2 (0.59) HPGDSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL20225308 0.81 CAMK2D (0.64) ADORA2AKDM4E
SCHEMBL21310953 0.80 KDM5C (0.57) HPGDSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL3914461 0.79 KDM4B (0.56) HPGDSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL5014018 0.78 HPGD (0.52) HPGDALDH1A1TP53GAAKDM4E
SCHEMBL764236 0.76 ABL1 (0.76) HPGDSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL29141512 0.75 KDM4E (0.60) HPGDSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL28342388 0.75 CAMK2D (0.48) HPGDSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL5014392 0.74 ALDH1A1 (0.59) HPGDSMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL34463093 0.73 HPGD (0.58) HPGDSMN1; SMN2ALDH1A1KDM4E

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 HPGD 1807/4885SMN1; SMN2 1210/4885NPC1 1159/4885

“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.