SCHEMBL5453232

SCHEMBL5453232

NC(=O)c1c(NC(=O)Nc2ccc3c(c2)OCO3)sc2c1CCC(O)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.54
FLT3 P36888 1/20 0.53
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 5/20 0.50
POLB P06746 2/20 0.50
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 5/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 2/20 0.44
USP2 O75604 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
SCHEMBL5459270 0.83 TNIK (0.54) TNIKFLT3NPC1RAB9AKMT2A
SCHEMBL5453118 0.82 FLT3 (0.55) TNIKFLT3NPC1RAB9AKMT2A
SCHEMBL5451267 0.82 TNIK (0.59) TNIKFLT3NPC1RAB9ANPSR1
SCHEMBL5448399 0.82 TNIK (0.62) TNIKNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5453345 0.82 TNIK (0.59) TNIKNPC1RAB9AKMT2AMEN1
SCHEMBL5752965 0.81 TNIK (0.74) TNIKFLT3NPC1RAB9AKMT2A
SCHEMBL5459994 0.81 TNIK (0.74) TNIKFLT3NPC1RAB9AKMT2A
SCHEMBL5446149 0.81 TNIK (0.74) TNIKFLT3NPC1RAB9AKMT2A
SCHEMBL5458349 0.81 MAPT (0.57) TNIKFLT3NPC1RAB9AKMT2A
SCHEMBL5467916 0.79 FLT3 (0.52) TNIKFLT3NPC1RAB9AKMT2A

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 4 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

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 3509/4885NPC1 2627/4885

“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.