SCHEMBL6323643

SCHEMBL6323643

Nc1onc(-c2ccco2)c1C(=O)NC1CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 8/20 0.52
MEN1 O00255 6/20 0.52
BLM P54132 4/20 0.52
POLB P06746 4/20 0.52
PTPN7 P35236 3/20 0.52
RECQL P46063 3/20 0.52
HSD17B10 Q99714 3/20 0.52
USP2 O75604 2/20 0.52
CACNA1B Q00975 2/20 0.52
APBA1 Q02410 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
ESR2 Q92731 1/20 0.52
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 8/20 0.47
HPGD P15428 6/20 0.47

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
SCHEMBL6324204 0.98 NPC1 (0.59) NPC1RAB9AKMT2AMEN1BLM
SCHEMBL6317618 0.96 NPC1 (0.61) NPC1RAB9AKMT2AMEN1BLM
SCHEMBL6316337 0.87 TDP1 (0.46) NPC1RAB9AKMT2AMEN1BLM
SCHEMBL6323987 0.83 TAS1R3 (0.48) NPC1RAB9AKMT2AMEN1BLM
SCHEMBL6321448 0.83 L3MBTL1 (0.53) POLBMAPK1L3MBTL1PKMTSHR
SCHEMBL6314930 0.82 ALDH1A1 (0.50) RAB9AKMT2AMEN1BLMPOLB
SCHEMBL6323235 0.80 HIF1A (0.46) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6320687 0.80 SMN1; SMN2 (0.48) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL6315957 0.80 CA1 (0.56) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL6317293 0.80 RECQL (0.59) KMT2ARECQLHSD17B10ALDH1A1LMNA

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 NPC1 3741/4885RAB9A 1754/4885KMT2A 1089/4885

“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.