SCHEMBL6316632

SCHEMBL6316632

COCC(C)NC(=O)CC#N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
ACACB O00763 2/20 0.44
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6317467 0.79 MCL1 (0.52) MCL1ACACBALDH1A1HPGDRAB9A
SCHEMBL10428284 0.77 MCL1 (0.48) MCL1ACACBALDH1A1HTTKDM4E
SCHEMBL6315460 0.77 MCL1 (0.48) MCL1ACACBALDH1A1KMT2AGAA
SCHEMBL13912219 0.76 LMNA (0.44) ACACBLMNAALDH1A1HPGDHTT
SCHEMBL17833384 0.76 LMNA (0.44) ACACBLMNAALDH1A1HPGDHTT
SCHEMBL17833383 0.76 LMNA (0.44) ACACBLMNAALDH1A1HPGDHTT
SCHEMBL1896933 0.76
SCHEMBL8015155 0.74
SCHEMBL22928949 0.73 ALDH1A1 (0.44) ACACBLMNAALDH1A1HPGDHTT
SCHEMBL3906747 0.73 MCL1 (0.56) MCL1ACACBLMNAALDH1A1HTT

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 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 MCL1 584/4885ACACB 1255/4885LMNA 3334/4885

“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.