SCHEMBL6818592

SCHEMBL6818592

COc1ccc(CSc2cnc(C(=O)Nc3ccc(C#N)cc3C(=O)O)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
KDM4E B2RXH2 2/20 0.45
ASPH Q12797 1/20 0.45
RIOX2 Q8IUF8 1/20 0.45
KDM8 Q8N371 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
VNN1 O95497 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
GPR6 P46095 2/20 0.40
POLB P06746 2/20 0.39
ADORA1 P30542 1/20 0.39
PYGL P06737 1/20 0.39

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
SCHEMBL6818018 0.89 ALB (0.49) ALBKDM4EASPHRIOX2KDM8
SCHEMBL6835686 0.82 ALB (0.51) ALBPYGLPYGML3MBTL1MEN1
SCHEMBL6834094 0.81 ALB (0.59) ALBKDM4EMAPTHTTPLK1
SCHEMBL6819130 0.80 ALB (0.54) ALBALDH1A1GPR6PYGLPYGM
SCHEMBL6818796 0.80 ALB (0.59) ALBKDM4EHTTPLK1PLK3
SCHEMBL6819161 0.80 ALB (0.79) ALBPLK1GPR6PYGLPYGM
SCHEMBL6822748 0.79 ALB (0.58) ALBPLK1PLK3
SCHEMBL6833718 0.79 ALB (0.58) ALBPLK1PLK3
SCHEMBL6819812 0.79 ALB (0.58) ALBPLK1PLK3
SCHEMBL6814498 0.79 ALB (0.58) ALBPLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885KDM4E 1240/4885ASPH 1511/4885

“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.