SCHEMBL6323477

SCHEMBL6323477

CSCCCNC(=O)c1c(-c2cccnc2)noc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 3/20 0.41
NCOR2 Q9Y618 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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 0.88 GAA (0.50) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6316924 0.87 GAA (0.49) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6315661 0.86 GAA (0.48) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6322760 0.86 GAA (0.48) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6321937 0.86 GAA (0.48) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6323619 0.83 L3MBTL1 (0.62) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6315451 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1HDAC6HDAC3NCOR2
SCHEMBL6318157 0.83 TP53 (0.47) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6317724 0.82 L3MBTL1 (0.58) ALDH1A1L3MBTL1HDAC6HDAC1HDAC3
SCHEMBL6315431 0.81 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4EPTAFRMEN1

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 ALDH1A1 4444/4885L3MBTL1 4176/4885HDAC6 985/4885

“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.