SCHEMBL5457899

SCHEMBL5457899

NC(=O)c1c(NC(=S)Nc2cccnc2)sc2c1CCCC2

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
MAPT P10636 7/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
GAA P10253 3/20 0.76
LMNA P02545 1/20 0.76
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
FLT3 P36888 4/20 0.69
POLB P06746 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.58
TLR2 O60603 3/20 0.58
ANO1 Q5XXA6 2/20 0.57
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.54
CXCR2 P25025 1/20 0.54

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
SCHEMBL5456392 0.86 CXCR2 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5457779 0.81 RAB9A (1.00) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5457907 0.77 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5465670 0.76 RAB9A (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5463139 0.75 CFTR (0.55) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5450860 0.75 MEN1 (0.78) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5457818 0.74 FLT3 (1.00) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL16693768 0.73 TLR2 (1.00) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5455700 0.73 RAB9A (1.00) ALDH1A1MAPTGAALMNANPC1
SCHEMBL8290385 0.72 MEN1 (0.74) ALDH1A1MAPTMEN1KMT2AGAA

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 ALDH1A1 1153/4885MAPT 21/4885MEN1 2891/4885

“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.