SCHEMBL1456582

SCHEMBL1456582

Nc1nc2c(c3c1ncn3Cc1cc(-c3ccc(F)cc3)no1)NCCC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IKBKB O14920 1/20 0.33
DRD2 P14416 4/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 4/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
IL4I1 Q96RQ9 1/20 0.31
EPHX2 P34913 1/20 0.30
NSD2 O96028 3/20 0.30

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
SCHEMBL1456943 0.78 HTT (0.42) HTTNPC1RAB9AIKBKBDRD2
SCHEMBL1457384 0.77 TOP1 (0.41) HTTNPC1RAB9AIKBKBDRD2
SCHEMBL1456957 0.76 TLR7 (0.49) HTTNPC1RAB9AIKBKBDRD2
SCHEMBL3353644 0.69 TLR7 (0.49) HTTNPC1RAB9A
SCHEMBL1457397 0.67 HTT (0.45) HTTNPC1RAB9ADRD2DRD4
SCHEMBL1457009 0.66 HTT (0.42) HTTNPC1RAB9ADRD2DRD4
SCHEMBL1456665 0.63 NPC1 (0.36) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL1456641 0.63 HTT (0.41) HTTNPC1RAB9ADRD2DRD4
SCHEMBL1456858 0.63 TLR7 (0.41) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL1456911 0.62 TOP1 (0.41) NPC1RAB9ADRD2DRD4DRD3

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-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

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 4596/4885NPC1 2667/4885RAB9A 2832/4885

“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.