SCHEMBL5012738

SCHEMBL5012738

Ic1ncc(-c2ccncc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
STAT1 P42224 1/20 0.51
KMT2A Q03164 1/20 0.51
PTK2 Q05397 1/20 0.45
S1PR1 P21453 1/20 0.42
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL5012718 0.79 ALDH1A1 (0.57) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL12571294 0.77 RAB9A (0.53) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4875237 0.76 RAB9A (0.71) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL13484034 0.75 KDM4E (0.61) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL12920037 0.75 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3025349 0.71 ALOX15 (0.79) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL15062641 0.71 KDM4E (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL27789997 0.71 FAAH (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL7695763 0.71 ALOX15 (0.79) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18013069 0.70 NOTUM (0.46) KDM4EALDH1A1KMT2AALOX15TSHR

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 NPC1 1159/4885RAB9A 1451/4885KDM4E 4191/4885

“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.