SCHEMBL5012763

SCHEMBL5012763

O=C(c1ccnc(-c2cccs2)c1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50
RIPK1 Q13546 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
PLAUR Q03405 3/20 0.48

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
SCHEMBL5012797 0.88 HPGD (0.54) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL5014378 0.80 KMT2A (0.46) SMN1; SMN2KDM4EHPGDTSHRPOLB
SCHEMBL21310953 0.77 KDM5C (0.57) SMN1; SMN2KDM4EHPGDALDH1A1CYP1A2
SCHEMBL5014381 0.76 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL18175986 0.76 PKM (0.55) SMN1; SMN2KDM4EHPGDALDH1A1L3MBTL1
SCHEMBL3914461 0.76 KDM4B (0.56) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL10720509 0.74 L3MBTL1 (0.71) RAB9AKDM4EHPGDALDH1A1TSHR
SCHEMBL4278767 0.74 RAB9A (1.00) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL17689077 0.73 HPGD (0.60) SMN1; SMN2KDM4EHPGDALDH1A1GAA
SCHEMBL3249195 0.73 PKM (0.63) SMN1; SMN2NPC1RAB9AKDM4EHPGD

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 6 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
CN-101124232-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2008-02-13 CN 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 SMN1; SMN2 1210/4885NPC1 1159/4885RAB9A 1451/4885

“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.