SCHEMBL5445103

SCHEMBL5445103

NC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.66
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK10 P53779 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
MDM2 Q00987 1/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
REV1 Q9UBZ9 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL21597756 0.88 FLT3 (0.50) FLT3ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5446176 0.85 FLT3 (0.63) FLT3ALDH1A1HSD17B10MAPK10TSHR
SCHEMBL5446184 0.85 FLT3 (0.63) FLT3ALDH1A1HSD17B10MAPK10TSHR
SCHEMBL21597675 0.85 MAPT (0.48) FLT3ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21597638 0.85 KDM4E (0.67) FLT3ALDH1A1HSD17B10TSHRHPGD
SCHEMBL5446187 0.85 FLT3 (0.63) FLT3ALDH1A1HSD17B10MAPK10TSHR
SCHEMBL14361070 0.84 FLT3 (0.62) FLT3ALDH1A1HSD17B10MAPK10TSHR
SCHEMBL14361151 0.84 FLT3 (0.62) FLT3ALDH1A1HSD17B10MAPK10TSHR
SCHEMBL5467649 0.82 FLT3 (0.94) FLT3ALDH1A1HSD17B10MAPK10TSHR
SCHEMBL21597594 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRKMT2AHPGD

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 7 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
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 FLT3 3509/4885ALDH1A1 1153/4885HSD17B10 635/4885

“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.