SCHEMBL6235519

SCHEMBL6235519

O=C1SCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 3/20 0.50
▸ S100A4 P26447 2/20 0.50
▸ TDP2 O95551 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TLR9 Q9NR96 1/20 0.49
▸ ACHE P22303 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ PARP1 P09874 1/20 0.45
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44

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
SCHEMBL22898465 0.86 ACHE (0.52) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL987760 0.74 TLR9 (0.79) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL30049268 0.74 TLR9 (0.79) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL3624177 0.72 KCNJ1 (0.60) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL1567844 0.71 PTPRC (0.53) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL6370751 0.71 ACHE (0.53) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL8762150 0.71 PNMT (0.50) TDP2MEN1MAPTKMT2ALMNA
SCHEMBL5035485 0.70 ALDH1A1 (0.51) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL1163250 0.69 TDP2 (0.62) PTPRCS100A4TDP2MEN1MAPT
SCHEMBL9641625 0.69 TDP2 (0.46) PTPRCS100A4TDP2MEN1MAPT

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-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 — — US disclosed
EP-1594495-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 — — EP disclosed
WO-2004069245-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 — — 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-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL PTPRC 3751/4885S100A4 2175/4885TDP2 3192/4885

“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.

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