SCHEMBL4015948

SCHEMBL4015948

COC(OC)c1cn(-c2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 1/20 0.41
TLR2 O60603 7/20 0.41
TLR1 Q15399 7/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
S1PR4 O95977 1/20 0.37
HIF1A Q16665 1/20 0.35
DPP4 P27487 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SNCA P37840 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1617550 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL4013915 0.79 ALDH1A1 (0.34) ALDH1A1LMNAMAPT
SCHEMBL4019860 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL20085597 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL8822076 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL962880 0.76 HTT (0.45) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL3745954 0.74 ALDH1A1 (0.44) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL3433157 0.74 ALDH1A1 (0.41) ALDH1A1KMT2ATLR2TLR1LMNA
SCHEMBL31463575 0.73 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL3752676 0.73 TLR2 (0.39) ALDH1A1KMT2ATLR2TLR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 US disclosed
US-7473699-B2 3-cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2009-01-06 US disclosed
CN-1649866-A 3-cyclyl-5-(nitrogen-containing 5-membered ring) methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2005-08-03 CN disclosed
US-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1497286-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-01-19 EP disclosed
WO-2003072575-A1 3-CYCLYL-5-(NITROGEN-CONTAINING 5-MEMBERED RING) METHYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-09-04 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-20050119292-A1 3-Cyclyl-5-(nitrogen-containing 5-membered ring)methyl-oxazolidinone derivatives and their use as antibacterial agents H1-0, NGLY1, H1-5 ALDH1A1 2977/4885KMT2A 1038/4885TLR2 2033/4885

“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.