SCHEMBL6323801

SCHEMBL6323801

CCCCCCCNC(=O)c1c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)noc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 2/20 0.47
CASP6 P55212 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 2/20 0.40
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6318133 1.00 HDAC6 (0.47) HDAC6HDAC1CASP6LMNACYP1A2
SCHEMBL6318701 1.00 HDAC6 (0.47) HDAC6HDAC1CASP6LMNACYP1A2
SCHEMBL6321584 0.99 HDAC1 (0.46) HDAC6HDAC1CASP6LMNACYP1A2
SCHEMBL6321953 0.96 CASP6 (0.47) HDAC6HDAC1CASP6LMNACYP1A2
SCHEMBL6324248 0.92 ALDH1A1 (0.43) HDAC6HDAC1CASP6LMNACYP1A2
SCHEMBL6316648 0.89 HDAC6 (0.43) HDAC6HDAC1CASP6LMNACYP1A2
SCHEMBL6316738 0.88 FAAH (0.50) HDAC6HDAC1CYP1A2CYP2C19ALDH1A1
SCHEMBL6318295 0.87 ALDH1A1 (0.50) HDAC6HDAC1CYP1A2CYP2C19ALDH1A1
SCHEMBL6314580 0.87 ALDH1A1 (0.50) HDAC6HDAC1CYP1A2CYP2C19ALDH1A1
SCHEMBL6316400 0.87 ALDH1A1 (0.50) HDAC6HDAC1CYP1A2CYP2C19ALDH1A1

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 7 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 HDAC6 985/4885HDAC1 907/4885CASP6 1350/4885

“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.