SCHEMBL3606828

SCHEMBL3606828

Fc1ncccc1-c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 7/20 0.60
HSD17B10 Q99714 5/20 0.60
TP53 P04637 5/20 0.60
TSHR P16473 4/20 0.60
NFKB1 P19838 1/20 0.60
CASP3 P42574 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 6/20 0.57
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
KMT2A Q03164 1/20 0.54
ACHE P22303 1/20 0.51

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
SCHEMBL3616136 0.82 CYP11B2 (0.47) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL3875252 0.80 CYP11B2 (0.55) MAPTCYP1A2PTGS2NOTUMCYP11B2
SCHEMBL3616025 0.78 NPC1 (0.61) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL3617914 0.78 NOTUM (0.49) RAB9ANPC1KDM4ETP53MAPT
SCHEMBL3617536 0.78 NPC1 (0.40) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL3604647 0.77 RAB9A (0.60) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL21887193 0.76 NPC1 (0.79) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL12692353 0.76 RAB9A (1.00) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL20996024 0.75 RAB9A (0.56) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL26766178 0.74 BRD4 (0.47) RAB9ANPC1KDM4EALDH1A1TP53

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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US claimed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP claimed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 WO 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 RAB9A 3855/4885NPC1 4031/4885KDM4E 3713/4885

“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.