SCHEMBL4849121

SCHEMBL4849121

COc1cc(Cl)ccc1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
LMNA P02545 3/20 0.49
STAT3 P40763 1/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL3138580 0.82 SMN1; SMN2 (0.45) ALDH1A1LMNASTAT3GAASMN1; SMN2
SCHEMBL15741815 0.80 RAB9A (0.53) ALDH1A1STAT3GAAMAPTSMN1; SMN2
SCHEMBL3135683 0.80 SMN1; SMN2 (0.49) ALDH1A1LMNASTAT3GAASMN1; SMN2
SCHEMBL22843801 0.78 ALDH1A1 (0.56) ALDH1A1FLT1FLT4KDRGAA
SCHEMBL31743132 0.76 FLT1 (0.62) ALDH1A1FLT1FLT4KDRLMNA
SCHEMBL7979805 0.76 FLT1 (0.62) ALDH1A1FLT1FLT4KDRLMNA
SCHEMBL14880161 0.76 FLT1 (0.62) ALDH1A1FLT1FLT4KDRLMNA
SCHEMBL4118124 0.76 LPAR1 (0.52) ALDH1A1KDRGAAMAPTKMT2A
SCHEMBL4345662 0.75 KDM4E (0.62) ALDH1A1FLT1FLT4KDRLMNA
SCHEMBL19899991 0.75 POLB (0.65) ALDH1A1LMNAGAAMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885FLT1 1929/4885FLT4 1456/4885

“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.