SCHEMBL5452231

SCHEMBL5452231

NC(=O)c1c(NC(=O)Nc2ccccc2OC(F)F)sc2c1CCC(O)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.50
KMT2A Q03164 5/20 0.46
PDE4B Q07343 5/20 0.45
PDE4D Q08499 4/20 0.43
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5456297 0.87 ANO1 (0.52) TNIKKMT2APDE4BPDE4DMAPT
SCHEMBL5462758 0.83 TNIK (0.54) TNIKKMT2APDE4BPDE4DMAPT
SCHEMBL5453193 0.82 CNR2 (0.59) KMT2ANPC1RAB9AMEN1
SCHEMBL5453417 0.81 TNIK (0.56) TNIKKMT2APDE4BPDE4DMAPT
SCHEMBL5459994 0.80 TNIK (0.74) TNIKKMT2APDE4BPDE4DMAPT
SCHEMBL5446149 0.80 TNIK (0.74) TNIKKMT2APDE4BPDE4DMAPT
SCHEMBL5752965 0.80 TNIK (0.74) TNIKKMT2APDE4BPDE4DMAPT
SCHEMBL5453345 0.78 TNIK (0.59) TNIKKMT2APDE4BMAPTDUSP3
SCHEMBL5453491 0.77 TNIK (0.52) TNIKKMT2APDE4BMAPTL3MBTL1
SCHEMBL5451267 0.74 TNIK (0.59) TNIKMAPTDUSP3PTPN5PTPN11

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 TNIK 4134/4885KMT2A 4785/4885PDE4B 1387/4885

“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.