SCHEMBL5458397

SCHEMBL5458397

COCC(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.79
FLT3 P36888 5/20 0.74
TSHR P16473 5/20 0.72
MAPT P10636 3/20 0.72
KDM4E B2RXH2 3/20 0.72
HPGD P15428 4/20 0.70
HSD17B10 Q99714 2/20 0.70
ALOX15 P16050 1/20 0.70
MAPK1 P28482 1/20 0.70
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
LMNA P02545 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
GFER P55789 1/20 0.67
GAA P10253 1/20 0.64
RAB9A P51151 1/20 0.64
MAPK10 P53779 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL8289506 0.97 ALDH1A1 (0.74) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL5454380 0.86 FLT3 (0.72) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL5453467 0.85 FLT3 (1.00) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL8289669 0.84 HPGD (0.76) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL5465217 0.83 ALDH1A1 (0.81) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL8288679 0.83 HPGD (0.78) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL3453042 0.82 FLT3 (0.75) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL8289412 0.82 KDM4E (1.00) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL4135422 0.82 HPGD (0.83) ALDH1A1FLT3TSHRMAPTKDM4E
SCHEMBL1007246 0.82 FLT3 (0.75) ALDH1A1FLT3TSHRMAPTKDM4E

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 5 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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 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 ALDH1A1 1153/4885FLT3 3509/4885TSHR 1038/4885

“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.