SCHEMBL5109337

SCHEMBL5109337

c1cncc(-c2cnc(-c3nc(C4CN5CCC4CC5)no3)o2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP30 Q70CQ3 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5108703 0.89 KCNH2 (0.44) KCNH2KDM4EALDH1A1HPGDRAB9A
SCHEMBL5112482 0.87 KCNH2 (0.69) KCNH2ALDH1A1RAB9ANPC1HSD17B10
SCHEMBL14218960 0.87 KCNH2 (0.69) KCNH2ALDH1A1RAB9ANPC1HSD17B10
SCHEMBL5113309 0.81 KCNH2 (0.52) KCNH2KDM4EALDH1A1HPGDRAB9A
SCHEMBL5113463 0.73 KCNH2 (1.00) KCNH2
SCHEMBL9718623 0.71 KCNH2 (0.81) KCNH2
SCHEMBL5112511 0.70 KCNH2 (1.00) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7217876 0.67 CHRNA7 (0.48) KCNH2USP30
SCHEMBL14192603 0.66 KCNH2 (0.45) KCNH2USP30SMN1; SMN2
SCHEMBL5114200 0.66 KCNH2 (0.72) KCNH2

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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US claimed
EP-1831212-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065217-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US 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-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 KCNH2 501/4885KDM4E 2378/4885ALDH1A1 1028/4885

“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.