SCHEMBL6319331

SCHEMBL6319331

CCCCNC(=O)c1c(-c2ccsc2)noc1NC(=O)c1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
GAA P10253 2/20 0.45
KIT P10721 1/20 0.45
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 3/20 0.41
DNMT1 P26358 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL6316540 0.85 GAA (0.48) HDAC3GAAKITFLT1KDR
SCHEMBL6324057 0.85 L3MBTL1 (0.47) HDAC3GAAALDH1A1L3MBTL1TSHR
SCHEMBL6318603 0.85 L3MBTL1 (0.47) HDAC3GAAMEN1KMT2AL3MBTL1
SCHEMBL6316801 0.83 ADORA1 (0.47) HDAC3GAAKITFLT1KDR
SCHEMBL6319874 0.83 KIT (0.51) KITFLT1KDRALDH1A1PKM
SCHEMBL6318223 0.83 GAA (0.48) HDAC3GAAALDH1A1SMN1; SMN2LMNA
SCHEMBL6315475 0.82 KIT (0.50) KITFLT1KDRALDH1A1PKM
SCHEMBL6318504 0.82 GAA (0.42) HDAC3GAAALDH1A1PKMSMN1; SMN2
Butyramide SCHEMBL28753403 0.81 KIT (0.45) KITFLT1KDRALDH1A1PKM
SCHEMBL6317516 0.81 L3MBTL1 (0.45) HDAC3GAAALDH1A1SMN1; SMN2LMNA

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 HDAC3 1462/4885GAA 789/4885KIT 4264/4885

“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.