SCHEMBL5456037

SCHEMBL5456037

NC(=O)c1c(NC(=O)OCc2ccccc2)sc2cc(O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
PLAU P00749 1/20 0.43
MGLL Q99685 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
AKR1B1 P15121 1/20 0.41
MIF P14174 1/20 0.41
ROCK2 O75116 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5462763 0.85 KMT2A (0.55) SMN1; SMN2MAPTPOLBNPSR1ALDH1A1
SCHEMBL5453489 0.84 TRPV1 (0.47) PLAUMAPTNPC1RAB9ANPSR1
SCHEMBL5451109 0.79 MEN1 (0.56) MAOASMN1; SMN2TP53MAPTNPC1
SCHEMBL21780873 0.74 ESR1 (0.51) NPC1RAB9AAKR1B1HDAC3HDAC1
SCHEMBL13116564 0.74 MAPK8 (0.46) MAOAPLAUMGLLSMN1; SMN2TP53
SCHEMBL5455873 0.73 ESR1 (0.40) NPSR1TSHRESR1ESR2
SCHEMBL13116565 0.71 MAPK8 (0.70) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL5447548 0.71 KDR (0.51) SMN1; SMN2NPC1RAB9AHDAC3HDAC1
SCHEMBL5446195 0.71 MEN1 (0.45) SMN1; SMN2MAPTNPC1RAB9APOLB
SCHEMBL17625475 0.70 MEN1 (0.52) SMN1; SMN2MAPTNPC1RAB9ACA12

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 9 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
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 MAOA 476/4885PLAU 4434/4885MGLL 4166/4885

“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.