SCHEMBL6324336

SCHEMBL6324336

COCC(C)NC(=O)c1c(-c2ccco2)noc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 3/20 0.45
HPGD P15428 5/20 0.45
POLB P06746 4/20 0.45
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PABPC1 P11940 1/20 0.43
PTPN7 P35236 1/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 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
SCHEMBL6317940 0.88 TDP1 (0.45) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6318373 0.88 TDP1 (0.55) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6317889 0.86 TDP1 (0.46) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL885757 0.84 TDP1 (0.42) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6318042 0.83 TDP1 (0.44) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6316285 0.83 RAB9A (0.46) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6316073 0.83 HPGD (0.45) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6323227 0.82 KMT2A (0.60) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL6322156 0.82 TDP1 (0.43) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL6317686 0.82 TDP1 (0.43) NPC1RAB9ASMN1; SMN2TP53KDM4E

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 NPC1 3741/4885RAB9A 1754/4885SMN1; SMN2 2766/4885

“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.