SCHEMBL3605924

SCHEMBL3605924

c1cncc(-c2nnc(-c3ccoc3)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.61
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
HSD17B10 Q99714 4/20 0.60
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
NT5E P21589 1/20 0.53
CA2 P00918 1/20 0.52
MAPK1 P28482 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 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
SCHEMBL2274986 0.86 NPC1 (0.76) KDM4EALDH1A1HPGDHSD17B10NPC1
Hydrochloric Acid SCHEMBL4929292 0.84 NPC1 (0.73) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL31141579 0.82 PPARA (0.63) PPARAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12117531 0.82 PPARA (0.63) PPARAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13197417 0.80 NPC1 (0.74) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL24987295 0.79 PPARA (0.59) PPARAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL38657585 0.79 NPC1 (0.72) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL1423000 0.79 NPC1 (0.67) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL29810988 0.77 NPC1 (0.60) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL3610426 0.77 NPC1 (0.60) KDM4EALDH1A1HPGDHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US claimed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 PPARA 540/4885KDM4E 3713/4885ALDH1A1 1090/4885

“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.