SCHEMBL6316337

SCHEMBL6316337

CC(C)(C)C1CCC(NC(=O)c2c(-c3ccco3)noc2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 6/20 0.42
BLM P54132 4/20 0.42
RECQL P46063 4/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 4/20 0.42
PTPN7 P35236 3/20 0.42
CACNA1B Q00975 3/20 0.42
APBA1 Q02410 3/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 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
SCHEMBL6324204 0.87 NPC1 (0.59) TDP1NPC1RAB9AKMT2ABLM
SCHEMBL6323643 0.87 NPC1 (0.56) TDP1NPC1RAB9AKMT2ABLM
SCHEMBL6317618 0.86 NPC1 (0.61) TDP1NPC1RAB9AKMT2ABLM
SCHEMBL6316614 0.82 CA1 (0.51) NPC1RAB9AKMT2ATP53LMNA
SCHEMBL6319880 0.79 RAB9A (0.40) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL6318415 0.79 RAB9A (0.40) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL6314930 0.79 ALDH1A1 (0.50) TDP1RAB9AKMT2ABLMRECQL
SCHEMBL6323987 0.78 TAS1R3 (0.48) NPC1RAB9AKMT2ABLMRECQL
SCHEMBL6316433 0.78 CA1 (0.39) TDP1RAB9AKMT2APOLBALDH1A1
SCHEMBL6315558 0.78 GHSR (0.38) TDP1NPC1RAB9AKMT2ABLM

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 TDP1 527/4885NPC1 3741/4885RAB9A 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.