SCHEMBL4012852

SCHEMBL4012852

Cc1cn(-c2ccc([N+](=O)[O-])cc2F)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
S1PR4 O95977 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
NOTUM Q6P988 1/20 0.40
BCHE P06276 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
CCKBR P32239 1/20 0.40

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
SCHEMBL13939918 0.83 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14036564 0.81 SNCA (0.53) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL20283629 0.80 BCHE (0.61) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL2627211 0.79 HTT (0.60) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL17978588 0.79 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL6199135 0.78 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL27340987 0.76 HTT (0.59) ALDH1A1KMT2ALMNAMAPTNPC1
SCHEMBL961555 0.75 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL1617550 0.75 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL361238 0.75 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMAPTTHRB

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 1038/4885LMNA 1707/4885

“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.