SCHEMBL3886944

SCHEMBL3886944

Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.89
ALDH1A1 P00352 7/20 0.89
SMN1; SMN2 Q16637 4/20 0.89
MEN1 O00255 4/20 0.89
KMT2A Q03164 4/20 0.89
MAPK1 P28482 3/20 0.89
NPSR1 Q6W5P4 2/20 0.89
PKM P14618 1/20 0.89
HTT P42858 1/20 0.89
LMNA P02545 4/20 0.58
KDM4E B2RXH2 3/20 0.58
XBP1 P17861 1/20 0.58
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 3/20 0.55
GAA P10253 2/20 0.55
CYP2C9 P11712 2/20 0.55
POLB P06746 1/20 0.55
MGAM O43451 1/20 0.54

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
SCHEMBL30818066 0.94 MAPT (1.00) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1304933 0.93 MAPT (0.78) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5084206 0.90 MAPT (0.74) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9621677 0.85 MAPT (0.67) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2396550 0.83 MAPT (0.63) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10909889 0.82 MAPT (0.62) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11280392 0.82 MAPT (0.67) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11752217 0.81 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11748860 0.81 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12491432 0.81 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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 MAPT 2792/4885ALDH1A1 510/4885SMN1; SMN2 3501/4885

“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.