SCHEMBL6318157

SCHEMBL6318157

CCCCN(CCCC)CCCNC(=O)c1c(-c2cccnc2)noc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HDAC6 Q9UBN7 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
ACKR3 P25106 1/20 0.39
HIF1A Q16665 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
SCHEMBL6318002 0.92 GAA (0.50) TP53GAAALDH1A1L3MBTL1HDAC6
SCHEMBL6316924 0.91 GAA (0.49) TP53GAAALDH1A1L3MBTL1HDAC6
SCHEMBL6321937 0.90 GAA (0.48) GAAALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL6322760 0.90 GAA (0.48) GAAALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL6315661 0.90 GAA (0.48) GAAALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL6323477 0.83 ALDH1A1 (0.46) GAAALDH1A1L3MBTL1HDAC6HDAC1
SCHEMBL6324357 0.82 RAB9A (0.42) TP53GAAMAPK1
SCHEMBL6323619 0.81 L3MBTL1 (0.62) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6315451 0.81 ALDH1A1 (0.47) GAAALDH1A1L3MBTL1HDAC6HDAC3
SCHEMBL6315752 0.80 ALDH1A1 (0.48) TP53GAAALDH1A1L3MBTL1MAPK1

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-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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TP53 609/4885GAA 789/4885ALDH1A1 4444/4885

“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.