SCHEMBL3199823

SCHEMBL3199823

O=C(NC(CCc1ccccc1)C(=O)O)c1ccc(Cl)c(-c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
GPR132 Q9UNW8 2/20 0.48
C3AR1 Q16581 2/20 0.46
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
MME P08473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3215218 0.89 PDK1 (0.52) PDK1PDK2PDK3PDK4CA1
SCHEMBL3213081 0.85 GPR132 (0.50) PDK1PDK2PDK3PDK4CA1
SCHEMBL3222001 0.83 GPR132 (0.55) PDK1PDK2PDK3PDK4GPR132
SCHEMBL3218303 0.79 GRN (0.59) CA1CA2GPR132GRNSORT1
SCHEMBL3222613 0.78 GRN (0.51) PDK1PDK2PDK3PDK4GPR132
SCHEMBL775117 0.78 CA2 (0.64) CA1CA2GRNSORT1MEN1
SCHEMBL3215269 0.77 PDK1 (0.52) PDK1PDK2PDK3PDK4CA1
SCHEMBL3218617 0.76 PDK1 (0.42) PDK1PDK2PDK3PDK4CA1
SCHEMBL7278422 0.76 HPGD (0.67) CA1CA2GPR132MMEMEN1
SCHEMBL11125429 0.76 HPGD (0.67) CA1CA2GPR132MMEMEN1

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B PDK1 1103/4885PDK2 1177/4885PDK3 1406/4885

“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.