SCHEMBL1456596

SCHEMBL1456596

Cc1nc(N)c2nc(CO)n(Cc3cc(-c4ccc(F)cc4)no3)c2c1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
EPHX2 P34913 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
IGF1R P08069 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 6/20 0.32
DRD4 P21917 6/20 0.32
DRD3 P35462 6/20 0.32
TLR7 Q9NYK1 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL1456999 0.91 TLR7 (0.37) NOTUMEPHX2KLKB1KLK1NPC1
SCHEMBL1457294 0.90 TLR7 (0.39) NPC1RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL562618 0.88 EPHX2 (0.37) EPHX2KLKB1KLK1NPC1RAB9A
SCHEMBL1456665 0.88 NPC1 (0.36) NOTUMEPHX2KLKB1KLK1NPC1
SCHEMBL1457315 0.88 TLR7 (0.39) NPC1RAB9ASMN1; SMN2MAPTDRD2
SCHEMBL1457313 0.83 TLR7 (0.48) TLR7
SCHEMBL1456911 0.81 TOP1 (0.41) NOTUMNPC1RAB9ADRD2DRD4
SCHEMBL1456943 0.79 HTT (0.42) NOTUMNPC1RAB9ASMN1; SMN2IGF1R
SCHEMBL1456988 0.76 TLR7 (0.59) TLR7
SCHEMBL1457040 0.74 TLR7 (0.47) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 NOTUM 4059/4885EPHX2 1120/4885KLKB1 3872/4885

“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.