SCHEMBL6323979

SCHEMBL6323979

Nc1onc(-c2ccco2)c1C(=O)NCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
HPGD P15428 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PTPN7 P35236 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 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
SCHEMBL6319298 0.97 TSHR (0.56) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6317235 0.92 RAB9A (0.61) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6315889 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6316308 0.85 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6315065 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6324159 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6323404 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6322264 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6323713 0.83 CA1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6318083 0.83 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR

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 ALDH1A1 4444/4885SMN1; SMN2 2766/4885NPC1 3741/4885

“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.