SCHEMBL6323573

SCHEMBL6323573

Cc1ccc(CN(O)CCl)o1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.42
CHRM2 P08172 2/20 0.42
MEN1 O00255 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13453301 0.73 POLB (0.59) ALOX5POLBKMT2ACHRM2MEN1
SCHEMBL82414 0.73 POLB (0.59) ALOX5POLBKMT2ACHRM2MEN1
SCHEMBL6999054 0.72
SCHEMBL8809759 0.70 ALOX5 (1.00) ALOX5POLBTHRB
SCHEMBL19438698 0.69 CHRM2 (0.47) ALOX5POLBKMT2ACHRM2MEN1
SCHEMBL8633227 0.69 POLB (0.71) ALOX5POLBKMT2ACHRM2MEN1
SCHEMBL8631343 0.69 ALOX5 (0.54) ALOX5POLBKMT2ACHRM2MEN1
SCHEMBL8631339 0.69 POLB (0.70) ALOX5POLBKMT2ACHRM2MEN1
SCHEMBL8807773 0.68 ALOX5 (0.66) ALOX5POLBKMT2ACHRM2MEN1
SCHEMBL183308 0.68

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 1 patent. 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

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 ALOX5 2762/4885POLB 872/4885KMT2A 1089/4885

“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.