SCHEMBL5095729

SCHEMBL5095729

CCOC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)ns1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ AR P10275 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ PRKCZ Q05513 1/20 0.50
▸ PTPN11 Q06124 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ KCNJ1 P48048 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ GABRA2 P47869 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL20501819 0.86 MAPT (0.55) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL4114732 0.84 ALDH1A1 (0.51) GAAMAPTHTTL3MBTL1MEN1
SCHEMBL14527733 0.83 ALDH1A1 (0.45) RAB9AMAPTL3MBTL1NPC1
SCHEMBL1426050 0.82 MAPT (0.52) RAB9AGAAMAPTPRKCZPTPN11
SCHEMBL18614346 0.82 MAPT (0.54) RAB9AMAPTHTTL3MBTL1MEN1
SCHEMBL16370488 0.81 ALDH1A1 (0.59) RAB9AGAAMAPTHTTL3MBTL1
SCHEMBL1425605 0.81 MAPT (0.61) RAB9AGAAMAPTPTPN11L3MBTL1
SCHEMBL27634362 0.80 TDP1 (0.50) RAB9AMEN1KMT2A
SCHEMBL4101439 0.80 PPARD (0.44) RAB9AGAAMAPTHTTL3MBTL1
SCHEMBL4114734 0.79 MAPT (0.55) MAPTL3MBTL1MEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465748-B2 Antiherpesvirus drugs; great pharmacokinetics, good antivirus activity when administered orally at a low dose, high safety profile, less mutagenic concerns; N-(2,6-dimethylphenyl)-N-(2-{[4-(1,3-oxazol-4-yl)phenyl]amino)-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide ASTELLAS PHARMA INC. (JP) 2008-12-16 — — US disclosed
US-20060229295-A1 Amide derivatives ASTELLAS PHARMA INC.AND RATIONAL DRUG DESIGN (JP) 2006-10-12 — — US disclosed
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 — — EP 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-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 RAB9A 741/4885GAA 2221/4885AR 4803/4885

“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.

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