SCHEMBL5453506

SCHEMBL5453506

CSc1ccc(NC(=O)Nc2sc3c(Br)c(O)ccc3c2C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NOX1 Q9Y5S8 1/20 0.41
KCNH2 Q12809 6/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GBA1 P04062 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5466938 0.88 CA12 (0.44) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5451260 0.80 EPHX2 (0.51) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5455604 0.79 MAPT (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5455848 0.73 KMT2A (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5448926 0.72 FLT3 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5449712 0.72 MAPT (0.44) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5453182 0.69 MEN1 (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5455851 0.69 STING1 (0.40) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL5456326 0.68 MEN1 (0.43) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL19353262 0.68 KMT2A (0.38) MAPTRAB9ANPC1MEN1KMT2A

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
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

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 MAPT 21/4885RAB9A 948/4885NPC1 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.