SCHEMBL6818018

SCHEMBL6818018

N#Cc1ccc(NC(=O)c2cnc(SCc3ccccc3)cn2)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.49
MCL1 Q07820 2/20 0.41
BCL2A1 Q16548 2/20 0.41
PYGL P06737 1/20 0.40
PYGM P11217 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ASPH Q12797 2/20 0.39
RIOX2 Q8IUF8 2/20 0.39
KDM8 Q8N371 2/20 0.39
TRPM4 Q8TD43 1/20 0.39
CXCR2 P25025 1/20 0.39
LTC4S Q16873 1/20 0.38
F10 P00742 2/20 0.38
HDAC3 O15379 2/20 0.38
NCOR1 O75376 2/20 0.38
CDK2 P24941 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.38
VNN1 O95497 2/20 0.37

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
SCHEMBL6818592 0.89 ALB (0.51) ALBPYGLPYGMKDM4EASPH
SCHEMBL6818090 0.86 ALB (0.65) ALBMCL1BCL2A1KDM4ECXCR2
SCHEMBL6932966 0.86 PTPRC (0.44) MCL1BCL2A1KDM4EASPHRIOX2
Hydrochloric Acid SCHEMBL6833139 0.85 ALB (0.64) ALBMCL1BCL2A1KDM4ECXCR2
SCHEMBL6835560 0.85 ALB (0.45) ALBMCL1BCL2A1PYGLPYGM
SCHEMBL6835614 0.85 MEN1 (0.47) MCL1BCL2A1KDM4EASPHRIOX2
SCHEMBL6835686 0.84 ALB (0.51) ALBPYGLPYGMTRPM4F10
SCHEMBL6834094 0.83 ALB (0.59) ALBKDM4EF10KMT2A
SCHEMBL6819130 0.83 ALB (0.54) ALBPYGLPYGMTRPM4F10
SCHEMBL6818796 0.83 ALB (0.59) ALBKDM4EF10KMT2A

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 3 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
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 1417/4885MCL1 2086/4885BCL2A1 583/4885

“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.