SCHEMBL4510997

SCHEMBL4510997

COc1cccc(Cl)c1NC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.51
PDK2 Q15119 3/20 0.51
PDK3 Q15120 3/20 0.51
PDK4 Q16654 3/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 2/20 0.45
NPY2R P49146 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR3 Q99500 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 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
SCHEMBL12666582 0.85 PDK1 (0.67) PDK1PDK2PDK3PDK4LMNA
SCHEMBL9188769 0.82 MAPK1 (0.47) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14042913 0.81 KDM4E (0.50) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL1031322 0.80 LTB4R (0.53) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL27733088 0.80 KDM4E (0.49) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL14042917 0.80 LMNA (0.56) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL27731649 0.79 HTT (0.43) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL3793230 0.79 PDK1 (0.55) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL14866056 0.79 PDK1 (0.70) PDK1PDK2PDK3PDK4LMNA
SCHEMBL8140708 0.78 KDM4E (0.57) PDK1PDK2PDK3PDK4KDM4E

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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 PDK1 1501/4885PDK2 1090/4885PDK3 660/4885

“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.