SCHEMBL1456943

SCHEMBL1456943

Cc1nc(N)c2ncn(Cc3cc(-c4ccc(F)cc4)no3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
IKBKB O14920 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
IGF1R P08069 1/20 0.34
DRD2 P14416 5/20 0.34
DRD4 P21917 5/20 0.34
DRD3 P35462 5/20 0.34
CXCR1 P25024 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL1456665 0.82 NPC1 (0.36) NPC1RAB9AGRIN1GRIN2BSMN1; SMN2
SCHEMBL1456957 0.82 TLR7 (0.49) HTTIKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL1457384 0.81 TOP1 (0.41) HTTIKBKBNPC1RAB9ALMNA
SCHEMBL562618 0.81 EPHX2 (0.37) NPC1RAB9AGRIN1GRIN2BSMN1; SMN2
SCHEMBL1456999 0.80 TLR7 (0.37) NPC1RAB9AGRIN1GRIN2BSMN1; SMN2
SCHEMBL1456596 0.79 NOTUM (0.36) NPC1RAB9AGRIN1GRIN2BSMN1; SMN2
SCHEMBL1457294 0.79 TLR7 (0.39) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1457369 0.78 MET (0.43) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1456582 0.78 HTT (0.35) HTTIKBKBNPC1RAB9ADRD2
SCHEMBL1457315 0.77 TLR7 (0.39) NPC1RAB9ASMN1; SMN2MAPTDRD2

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 HTT 4596/4885IKBKB 277/4885NPC1 2667/4885

“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.