SCHEMBL6315752

SCHEMBL6315752

CCCCN(CCCC)CCCNC(=O)c1c(-c2ccco2)noc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HPGD P15428 5/20 0.48
RAB9A P51151 5/20 0.48
GAA P10253 4/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 5/20 0.48
POLB P06746 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MCL1 Q07820 2/20 0.48
CTDSP1 Q9GZU7 2/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
BLM P54132 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL6322264 0.92 ALDH1A1 (0.55) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6315889 0.91 ALDH1A1 (0.52) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6315065 0.89 ALDH1A1 (0.51) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6323404 0.89 ALDH1A1 (0.51) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6324159 0.89 ALDH1A1 (0.51) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6316816 0.84 GAA (0.40) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6324189 0.83 CA1 (0.50) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6318041 0.82 ALDH1A1 (0.43) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6319298 0.80 TSHR (0.56) ALDH1A1HPGDRAB9AGAANPC1
SCHEMBL6318157 0.80 TP53 (0.47) ALDH1A1GAATP53KDM4EL3MBTL1

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 2923/4885RAB9A 1754/4885

“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.