SCHEMBL3222001

SCHEMBL3222001

O=C(NC(CCc1ccccc1)C(=O)O)c1ccc(Cl)c(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 6/20 0.55
GPR34 Q9UPC5 4/20 0.49
NFKB1 P19838 1/20 0.49
PSMB5 P28074 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
PTPN1 P18031 1/20 0.48
PPARG P37231 1/20 0.47
FFAR1 O14842 1/20 0.47
MMP12 P39900 1/20 0.46
BCL2 P10415 1/20 0.46
KCNA3 P22001 1/20 0.45

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
SCHEMBL3213081 0.90 GPR132 (0.50) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3215218 0.86 PDK1 (0.52) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3199823 0.83 PDK1 (0.53) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3199944 0.80 NR4A2 (0.64)
SCHEMBL3214113 0.79 NR4A2 (0.62) MCL1
SCHEMBL15989069 0.76 LNPEP (0.52) GPR132PDK1PDK2PDK3PDK4
SCHEMBL18653875 0.76 LNPEP (0.52) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3222613 0.75 GRN (0.51) GPR132PDK1PDK2PDK3PDK4
SCHEMBL3218617 0.75 PDK1 (0.42) GPR132PDK1PDK2PDK3PDK4
SCHEMBL6029880 0.75 GPR132 (0.73) GPR132GPR34PTPN1PPARG

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 GPR132 3576/4885GPR34 4226/4885NFKB1 941/4885

“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.