SCHEMBL6315847

SCHEMBL6315847

CC(C)CCNC(=O)c1c(-c2ccco2)noc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
HPGD P15428 8/20 0.49
KDM4E B2RXH2 7/20 0.49
GAA P10253 4/20 0.49
GLA P06280 1/20 0.49
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALOX15 P16050 4/20 0.43
HSD17B10 Q99714 4/20 0.43
POLB P06746 4/20 0.43
BLM P54132 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43

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
SCHEMBL6315166 0.88 RAB9A (0.60) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6617134 0.88 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6318320 0.88 EPHX2 (0.47) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6322264 0.85 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6315889 0.84 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL885757 0.84 TDP1 (0.42) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6324159 0.83 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6315065 0.83 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6323404 0.83 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL6317940 0.83 TDP1 (0.45) ALDH1A1HPGDKDM4EGAANPC1

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 4444/4885HPGD 2923/4885KDM4E 1382/4885

“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.