SCHEMBL4869669

SCHEMBL4869669

CCOC(=O)c1csc(N2CCC(N3CCCc4c([nH]c(C)c4Cl)C3=O)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
TNK2 Q07912 1/20 0.44
TNK1 Q13470 1/20 0.44
OGA O60502 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BAZ2A Q9UIF9 5/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4791760 0.89 BAZ2A (0.38) PARP1TNK2TNK1OGAHRH3
SCHEMBL4878828 0.84 PARP1 (0.44) PARP1TNK2TNK1OGA
SCHEMBL4870095 0.76 PIK3CD (0.43)
SCHEMBL4792596 0.75 ABCC2 (0.33)
SCHEMBL4874984 0.75 ABCC2 (0.46)
SCHEMBL4879470 0.74 OGA (0.42) PARP1TNK2TNK1OGAALDH1A1
SCHEMBL3281679 0.72 LMNA (0.44) LMNAPOLBL3MBTL1
SCHEMBL5723882 0.72 OGA (0.52) PARP1TNK2TNK1OGAALDH1A1
SCHEMBL7185606 0.71 ALDH1A1 (0.62) PARP1TNK2TNK1OGAALDH1A1
SCHEMBL4868542 0.71 HRH3 (0.38) HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 ASTRAZENECA AB (SE) 2008-12-18 US claimed

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-20080312211-A1 Antibacterial Pyrrolopyridines, Pyrrolopyrimidines and Pyrroloazepines-154 SDHA, QDPR, PNKP PARP1 1138/4885TNK2 2180/4885TNK1 2626/4885

“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.