SCHEMBL6353729

SCHEMBL6353729

CCSc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.54
ALB P02768 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.49
MCL1 Q07820 1/20 0.49
BCL2A1 Q16548 1/20 0.49
KCNK2 O95069 4/20 0.48
KCNK10 P57789 2/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SERPINE1 P05121 2/20 0.46

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
SCHEMBL6833748 0.88 ALB (0.51) PLK1ALBSIRT2MCL1BCL2A1
SCHEMBL6833313 0.87 ALB (0.44) PLK1ALBSIRT2MCL1BCL2A1
SCHEMBL6360650 0.87 KMT2A (0.57) PLK1ALBSIRT2MCL1BCL2A1
SCHEMBL6359401 0.85 ALB (0.63) ALBKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL6821748 0.83 ALB (0.70) PLK1ALBKMT2AMEN1HTT
SCHEMBL6346687 0.82 ALB (0.60) ALBKMT2AMEN1MAPTALDH1A1
SCHEMBL6359036 0.82 MEN1 (0.66) PLK1ALBKMT2AMEN1MAPT
SCHEMBL6347792 0.82 KCNK2 (0.67) PLK1MCL1BCL2A1KCNK2KCNK10
SCHEMBL6359300 0.81 ALB (0.53) PLK1ALBKMT2AMEN1MAPT
SCHEMBL6353963 0.81 KMT2A (0.62) ALBMCL1BCL2A1KMT2AMEN1

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 PLK1 3959/4885ALB 1682/4885SIRT2 3380/4885

“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.