SCHEMBL6323703

SCHEMBL6323703

CC(C)CC(C)NC(=O)c1c(-c2ccc(-c3cccc(Cl)c3)o2)noc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
TP53 P04637 3/20 0.42
C3AR1 Q16581 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.39
GHSR Q92847 1/20 0.38
SOS1 Q07889 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL6315497 0.91 TP53 (0.46) TP53C3AR1CA1CA2CA4
SCHEMBL885511 0.90 C3AR1 (0.41) CNR2TP53C3AR1CA1CA2
SCHEMBL6318123 0.89 MLLT1 (0.44) TP53CA1CA2CA4CA7
SCHEMBL6323815 0.87 S1PR4 (0.41) TP53C3AR1CA1CA2CA4
SCHEMBL6316265 0.87 ALDH1A1 (0.42) CNR2TP53C3AR1CA1CA2
SCHEMBL6323341 0.87 MAPT (0.46) TP53C3AR1POLBMAPT
SCHEMBL6323369 0.87 ALDH1A1 (0.41) CNR2TP53C3AR1CA1CA2
SCHEMBL6316350 0.87 TP53 (0.41) TP53C3AR1CA1CA2CA4
SCHEMBL6315859 0.87 RAB9A (0.44) CNR2TP53CA1CA2CA4
SCHEMBL6319097 0.86 CYP1A2 (0.50) CNR2TP53ALDH1A1

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 7 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 CNR2 3839/4885TP53 609/4885C3AR1 4775/4885

“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.