SCHEMBL3604647

SCHEMBL3604647

Fc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)c(F)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 10/20 0.60
TP53 P04637 5/20 0.60
HSD17B10 Q99714 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
TSHR P16473 4/20 0.60
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 6/20 0.54
NFKB1 P19838 1/20 0.54
CASP3 P42574 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HPGD P15428 5/20 0.51
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KMT2A Q03164 1/20 0.48
NOTUM Q6P988 1/20 0.47

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
SCHEMBL3614363 0.82 MAOA (0.48) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL3619116 0.80 RAB9A (0.58) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL21887193 0.77 NPC1 (0.79) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL3606828 0.77 RAB9A (0.60) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL3609349 0.76 NPC1 (0.66) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL3616025 0.73 NPC1 (0.61) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL11477996 0.72 NPC1 (1.00) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL3601860 0.72 NOTUM (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11498922 0.71 KDM4E (0.59) RAB9ANPC1TP53HSD17B10SMN1; SMN2
SCHEMBL12692353 0.70 RAB9A (1.00) RAB9ANPC1TP53HSD17B10SMN1; SMN2

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 4031/4885TP53 4777/4885

“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.