SCHEMBL6316376

SCHEMBL6316376

CC(C)(C)c1ccc(C(=O)Nc2onc(-c3cccs3)c2C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 4/20 0.50
TP53 P04637 1/20 0.50
GRIN2C Q14957 2/20 0.46
FLT3 P36888 1/20 0.45
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP6 P55212 1/20 0.41

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
SCHEMBL6316047 0.90 GABRD (0.47) SMN1; SMN2MAPTALDH1A1HTTMCOLN3
SCHEMBL6314638 0.87 ALDH1A1 (0.54) SMN1; SMN2MAPTTP53FLT3ALDH1A1
SCHEMBL6315217 0.86 HTT (0.45) SMN1; SMN2MAPTTP53ALDH1A1HTT
SCHEMBL6316533 0.86 ADCY1 (0.54) MAPTFLT3ALDH1A1HTTCYP1A2
SCHEMBL6323548 0.86 MAPT (0.52) MAPTTP53ALDH1A1HTTCYP1A2
SCHEMBL6315171 0.86 ADCY1 (0.56) SMN1; SMN2MAPTTP53FLT3ALDH1A1
SCHEMBL6318622 0.85 MAPT (0.47) SMN1; SMN2MAPTTP53ALDH1A1HTT
SCHEMBL6318710 0.83 HDAC1 (0.43) SMN1; SMN2MAPTTP53ALDH1A1HTT
SCHEMBL6316781 0.83 TRPV1 (0.45) SMN1; SMN2MAPTALDH1A1HTTNPC1
SCHEMBL6318507 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MAPTTP53GRIN2CFLT3

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 SMN1; SMN2 2766/4885MAPT 281/4885TP53 609/4885

“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.