SCHEMBL6350412

SCHEMBL6350412

O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 8/20 1.00
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
GAA P10253 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.58
PABPC1 P11940 1/20 0.58
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL6352101 0.85 ALB (0.80) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6346566 0.85 ALB (1.00) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6356873 0.85 ALB (1.00) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6349461 0.85 ALB (1.00) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL13870890 0.84 ALB (1.00) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6348773 0.84 ALB (0.80) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6353213 0.84 ALB (0.80) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6349549 0.83 ALB (0.76) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6353328 0.82 ALB (0.81) ALBMEN1KMT2AGAAALDH1A1
SCHEMBL6359491 0.81 ALB (0.86) ALBMEN1KMT2AGAAALDH1A1

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
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 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 (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 ALB 1682/4885MEN1 3274/4885KMT2A 3645/4885

“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.