SCHEMBL5451267

SCHEMBL5451267

NC(=O)c1c(NC(=O)Nc2ccc(Br)cc2)sc2c1CCC(O)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.59
FLT3 P36888 1/20 0.51
KCNH2 Q12809 12/20 0.50
MAPT P10636 2/20 0.50
PTPN1 P18031 1/20 0.49
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ANO1 Q5XXA6 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL5448399 0.89 TNIK (0.62) TNIKKCNH2MAPTPTPN1DUSP3
SCHEMBL5453345 0.89 TNIK (0.59) TNIKKCNH2MAPTPTPN1DUSP3
SCHEMBL5752965 0.89 TNIK (0.74) TNIKFLT3KCNH2MAPTPTPN1
SCHEMBL5459994 0.89 TNIK (0.74) TNIKFLT3KCNH2MAPTPTPN1
SCHEMBL5446149 0.89 TNIK (0.74) TNIKFLT3KCNH2MAPTPTPN1
SCHEMBL5455094 0.88 TNIK (0.64) TNIKMAPTTNFNOD1DUSP3
SCHEMBL5446191 0.86 TNIK (0.59) TNIKKCNH2MAPTPTPN1DUSP3
SCHEMBL5459133 0.86 TNIK (0.59) TNIKKCNH2MAPTPTPN1DUSP3
SCHEMBL5451415 0.86 TNIK (0.56) TNIKKCNH2MAPTPTPN1DUSP3
SCHEMBL5453529 0.86 TNIK (0.59) TNIKFLT3KCNH2MAPTDUSP3

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 6 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
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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 4134/4885FLT3 3509/4885KCNH2 3409/4885

“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.