SCHEMBL5453616

SCHEMBL5453616

NC(=O)c1c(NC(=O)Nc2cccc(Br)c2)sc2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.51
PARP1 P09874 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIK1 P39086 3/20 0.41
GRIK2 Q13002 2/20 0.41
STING1 Q86WV6 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38

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
SCHEMBL17625475 0.88 MEN1 (0.52) TRPV1DYRK1ADYRK1BMAPTMEN1
SCHEMBL5456326 0.87 MEN1 (0.43) DYRK1ADYRK1BMAPTMEN1NPC1
SCHEMBL5451109 0.87 MEN1 (0.56) TRPV1DYRK1ADYRK1BMAPTMEN1
SCHEMBL5467416 0.84 TRPV1 (0.53) TRPV1DYRK1AMAPTMEN1ALDH1A1
SCHEMBL5453277 0.84 MEN1 (0.54) TRPV1DYRK1ADYRK1BMAPTMEN1
SCHEMBL5453364 0.81 MEN1 (0.48) MAPTMEN1NPC1ALDH1A1GAA
SCHEMBL5458283 0.81 MEN1 (0.43) TRPV1DYRK1ADYRK1BMAPTMEN1
SCHEMBL5447596 0.81 GAA (0.48) MAPTMEN1NPC1ALDH1A1GAA
SCHEMBL5459965 0.81 MDM2 (0.45) DYRK1ADYRK1BMAPTMEN1NPC1
SCHEMBL5446261 0.78 NPC1 (0.47) MAPTMEN1NPC1ALDH1A1GAA

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
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
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 TRPV1 1381/4885PARP1 2145/4885DYRK1A 1403/4885

“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.