SCHEMBL6433829

SCHEMBL6433829

O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc(F)c1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
MAPT P10636 7/20 0.71
HTT P42858 5/20 0.71
DDX3X O00571 2/20 0.71
POLB P06746 2/20 0.71
CTDSP1 Q9GZU7 1/20 0.71
LMNA P02545 2/20 0.65
NPC1 O15118 1/20 0.65
TRPV1 Q8NER1 2/20 0.60
GAA P10253 3/20 0.59
BAZ1A Q9NRL2 2/20 0.58
MAPK1 P28482 3/20 0.58
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA5A P35218 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL1047211 0.84 MEN1 (1.00) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL17084065 0.83 MEN1 (0.96) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL4554987 0.82 MEN1 (0.82) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL22092547 0.81 MEN1 (0.79) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL29494985 0.81 MEN1 (0.79) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL11898961 0.80 DDX3X (1.00) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL6129390 0.80 MEN1 (0.90) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL1463232 0.79 MEN1 (0.71) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL27877544 0.79 MEN1 (0.71) MEN1KMT2AMAPTHTTDDX3X
SCHEMBL27861138 0.79 MEN1 (0.82) MEN1KMT2AMAPTHTTDDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US claimed
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US 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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 MEN1 903/4885KMT2A 1345/4885MAPT 1603/4885

“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.