SCHEMBL3886947

SCHEMBL3886947

O=[N+]([O-])c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2nccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CRHBP P24387 1/20 0.50
ATM Q13315 1/20 0.50
CRHR2 Q13324 1/20 0.50
TLR9 Q9NR96 1/20 0.50
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 3/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
HTT P42858 1/20 0.42
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
RAB9A P51151 3/20 0.39

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
SCHEMBL25258412 0.81 LMNA (0.48) MEN1ALDH1A1KMT2AL3MBTL1CRHBP
SCHEMBL628654 0.77 SCN1A (0.47) MEN1ALDH1A1KMT2AL3MBTL1CRHBP
SCHEMBL310828 0.74 ALDH1A1 (0.83) MEN1ALDH1A1KMT2AL3MBTL1CRHBP
SCHEMBL8986915 0.74 ALDH1A1 (0.83) MEN1ALDH1A1KMT2AL3MBTL1CRHBP
SCHEMBL7535772 0.74 FBP1 (0.47) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL9305341 0.73 PDPK1 (0.45) MEN1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL8361063 0.72 CA12 (0.48) MEN1ALDH1A1KMT2AATMMAPT
SCHEMBL14943964 0.72 POLB (0.50) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL3072972 0.71 PDPK1 (0.53) MEN1ALDH1A1KMT2AMAPTLMNA
SCHEMBL4037471 0.71 GAA (0.51) MEN1ALDH1A1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 US disclosed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 EP disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 MEN1 325/4885ALDH1A1 510/4885KMT2A 603/4885

“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.