SCHEMBL3616136

SCHEMBL3616136

N#Cc1ccc(-c2nnc(-c3cccnc3F)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NOTUM Q6P988 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 1/20 0.45
GSK3B P49841 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1G2 P78368 1/20 0.44
CYP11B1 P15538 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL3614655 0.85 NOTUM (0.51) CYP11B2MAOBNOTUMNPC1RAB9A
SCHEMBL18255822 0.83 CYP11B2 (0.59) CYP11B2NOTUMGSK3BCSNK1A1CSNK1D
SCHEMBL3606828 0.82 RAB9A (0.60) CYP11B2NOTUMNPC1RAB9AALDH1A1
SCHEMBL3612894 0.79 MAOA (0.46) MAOAMAOBNOTUMNPC1RAB9A
SCHEMBL3614363 0.78 MAOA (0.48) MAOAMAOBNOTUMNPC1RAB9A
SCHEMBL27864374 0.78 MAOA (0.68) MAOAMAOBNOTUMNPC1RAB9A
SCHEMBL3617536 0.75 NPC1 (0.40) CYP11B2NPC1RAB9AALDH1A1KDM4E
SCHEMBL3617914 0.75 NOTUM (0.49) MAOAMAOBNOTUMNPC1RAB9A
SCHEMBL1422898 0.73 CYP11B2 (0.70) CYP11B2MAOAMAOBNPC1RAB9A
SCHEMBL26778384 0.72 L3MBTL1 (0.46) CYP11B2NOTUMNPC1RAB9AALDH1A1

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 CYP11B2 977/4885MAOA 717/4885MAOB 440/4885

“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.