SCHEMBL6316285

SCHEMBL6316285

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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 0.86 TDP1 (0.45) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL6318373 0.86 TDP1 (0.55) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL6318055 0.85 ADORA2A (0.50) RAB9ANPC1TSHRHTTTDP1
SCHEMBL6317686 0.84 TDP1 (0.43) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL6317889 0.84 TDP1 (0.46) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL6324336 0.83 NPC1 (0.47) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL885757 0.82 TDP1 (0.42) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL6315166 0.82 RAB9A (0.60) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL6321635 0.82 ALDH1A1 (0.47) RAB9ANPC1TSHRHPGDSMN1; SMN2
SCHEMBL6318042 0.81 TDP1 (0.44) RAB9ANPC1TSHRHPGDSMN1; SMN2

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 RAB9A 1754/4885NPC1 3741/4885TSHR 3971/4885

“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.