SCHEMBL5867013

SCHEMBL5867013

CS(=O)(=O)Nc1cccc2cc(C(=NO)Nc3cccc(Cl)c3)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 1/20 0.42
CBR1 P16152 1/20 0.41
AKR1C3 P42330 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL5867011 1.00 CTPS1 (0.42) CTPS1CBR1AKR1C3PTGS1PTGS2
SCHEMBL5866832 0.85 CBR1 (0.45) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5866830 0.85 CBR1 (0.45) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5867018 0.79 IDO1 (0.42) HTTNR3C1LMNAKEAP1
SCHEMBL5867088 0.79 CBR1 (0.44) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5867078 0.79 CBR1 (0.44) CBR1AKR1C3MEN1KMT2AALDH1A1
SCHEMBL5935552 0.78 HTT (0.53) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL5935550 0.78 HTT (0.53) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL6777820 0.75 KEAP1 (0.40) CTPS1CBR1AKR1C3PTGS1PTGS2
SCHEMBL5866940 0.74 KCNQ2 (0.46) CBR1AKR1C3MEN1KMT2AALDH1A1

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-7148259-B1 Antibacterial agents AMGEN INC. (US) 2006-12-12 US disclosed
US-20060270651-A1 ANTIBACTERIAL AGENTS AMGEN INC. (US) 2006-11-30 US disclosed
US-7053234-B2 Antibacterial agents AMGEN INC. (US) 2006-05-30 US disclosed
US-20040235911-A1 hydroxyamidines; antibiotic resistance TULARIK INC. 2004-11-25 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 (2 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-20040235911-A1 hydroxyamidines; antibiotic resistance HNMT, HDHD5, ABCC1 CTPS1 2038/4885CBR1 3452/4885AKR1C3 4513/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP CTPS1 1287/4885CBR1 3505/4885AKR1C3 4582/4885

“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.