SCHEMBL6318172

SCHEMBL6318172

CC(C)NC(=O)Nc1onc(-c2cccs2)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HSD17B10 Q99714 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 3/20 0.49
RET P07949 1/20 0.45
USP2 O75604 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 1/20 0.39
CYP2C9 P11712 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL6315246 0.82 KDM4E (0.53) NPC1RAB9ASMN1; SMN2HDAC2HSD17B10
SCHEMBL6315136 0.82 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2HDAC1HSD17B10
SCHEMBL6315905 0.82 KDM4E (0.51) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL6317632 0.81 ADORA2A (0.53) RAB9ASMN1; SMN2HDAC1HDAC2HSD17B10
SCHEMBL6318389 0.81 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL6315274 0.79 ADORA2A (0.46) NPC1RAB9ASMN1; SMN2HDAC1HDAC2
SCHEMBL6317960 0.79 RET (0.41) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL6314638 0.78 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL6318751 0.78 HPGD (0.53) NPC1RAB9ASMN1; SMN2HSD17B10MEN1
SCHEMBL6321734 0.78 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2HDAC1HDAC2

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 3 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

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.