SCHEMBL5448452

SCHEMBL5448452

NC(=O)c1c(NC(=O)C2CC2)sc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
FLT3 P36888 1/20 0.44
MAPT P10636 6/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
BLM P54132 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAD52 P43351 1/20 0.42
MCL1 Q07820 1/20 0.42
PDE4B Q07343 1/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK10 P53779 1/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14361160 0.90 FLT3 (0.44) NAMPTFLT3MAPTKMT2AMEN1
SCHEMBL5459783 0.82 FLT3 (0.48) FLT3MAPTKMT2AMEN1ALDH1A1
SCHEMBL5467348 0.81 FLT3 (0.47) FLT3MAPTKMT2AMEN1HTT
SCHEMBL5460557 0.78 FLT3 (0.51) FLT3MAPTKMT2AMEN1ALDH1A1
SCHEMBL5450627 0.76 AURKA (0.50) FLT3MAPTKMT2AMEN1GAA
SCHEMBL5450964 0.75 FLT3 (0.48) FLT3MAPTHTTMAPK10AURKA
SCHEMBL5466117 0.75 FLT3 (0.48) FLT3MAPTKMT2AGAAALDH1A1
SCHEMBL5460352 0.75 AURKA (0.43) FLT3MAPTKMT2AMEN1HTT
SCHEMBL5453459 0.75 AURKA (0.43) FLT3MAPTKMT2AMEN1GAA
SCHEMBL17611488 0.73 FLT3 (0.46) FLT3MAPTKMT2AMEN1HTT

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
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
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
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 NAMPT 1642/4885FLT3 3509/4885MAPT 21/4885

“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.