SCHEMBL3607756

SCHEMBL3607756

Fc1cccc(-c2nnc(-c3cc(F)c(F)nc3F)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
GUSB P08236 1/20 0.45
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
PTK2 Q05397 1/20 0.43
MECP2 P51608 1/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
TP53 P04637 3/20 0.40
ATR Q13535 1/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGD P15428 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL3612993 0.81 RAB9A (0.42) NPC1RAB9AMECP2TP53ATR
SCHEMBL3615175 0.79 NOTUM (0.49) NOTUMGUSBNPC1RAB9APTK2
SCHEMBL3619116 0.78 RAB9A (0.58) NOTUMGUSBNPC1RAB9AMAOB
SCHEMBL3617914 0.77 NOTUM (0.49) NOTUMGUSBNPC1RAB9APTK2
SCHEMBL27620647 0.73 KDM4E (0.56) NOTUMGUSBNPC1RAB9APTK2
SCHEMBL30018972 0.73 RAB9A (0.72) NOTUMGUSBNPC1RAB9APTK2
SCHEMBL28914362 0.73 RAB9A (0.72) NOTUMGUSBNPC1RAB9APTK2
SCHEMBL3613219 0.72 NOTUM (0.50) NOTUMGUSBNPC1RAB9APTK2
SCHEMBL30966748 0.71 NOTUM (0.61) NOTUMGUSBNPC1RAB9APTK2
SCHEMBL21778135 0.71 NOTUM (0.53) NOTUMGUSBNPC1RAB9APTK2

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 NOTUM 1501/4885GUSB 4551/4885NPC1 4031/4885

“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.