SCHEMBL5453351

SCHEMBL5453351

COc1ccc2[nH]c(C)c(CC(=O)Nc3sc4c(c3C(N)=O)CCN(C)C4)c2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
RAD52 P43351 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AKR1C2 P52895 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.46
FLT3 P36888 2/20 0.45

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
SCHEMBL5450903 0.73 L3MBTL1 (0.58) KMT2AL3MBTL1NPC1RAB9APOLB
SCHEMBL5459212 0.73 KMT2A (0.48) RXFP1KMT2AL3MBTL1RAD52NPC1
SCHEMBL5453198 0.72 ATM (0.62) KMT2ARAD52NPC1RAB9APOLB
SCHEMBL5460132 0.72 L3MBTL1 (0.62) KMT2AL3MBTL1NPC1RAB9APOLB
SCHEMBL5454130 0.72 L3MBTL1 (0.66) KMT2AL3MBTL1POLBMEN1FLT3
SCHEMBL5459233 0.71 POLB (0.59) KMT2AL3MBTL1NPC1RAB9APOLB
SCHEMBL5453354 0.70 PLA2G2A (0.47) KMT2AL3MBTL1MEN1
SCHEMBL8270880 0.69 AKR1C2 (0.74) RXFP1KMT2AAKR1C2MEN1
Deboxamet SCHEMBL29387753 0.69 AKR1C2 (0.74) RXFP1KMT2AAKR1C2MEN1
Deboxamet SCHEMBL186946 0.69 AKR1C2 (0.74) RXFP1KMT2AAKR1C2MEN1

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 2 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

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 RXFP1 4595/4885KMT2A 4785/4885L3MBTL1 2796/4885

“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.