SCHEMBL4930503

SCHEMBL4930503

O=C(CCC(=O)Nc1cccnc1[N+](=O)[O-])NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.48
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46
HDAC1 Q13547 6/20 0.45
HDAC3 O15379 5/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC10 Q969S8 5/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC4 P56524 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
RAB9A P51151 1/20 0.43
HTT P42858 3/20 0.43

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
SCHEMBL9637625 0.81 NPC1 (0.56) MEN1LMNAKMT2AGAATHRB
SCHEMBL28898320 0.79 KMT2A (0.47) MEN1LMNAKMT2AGAATHRB
SCHEMBL10745616 0.78 KMT2A (0.53) MEN1LMNAKMT2AGAATHRB
SCHEMBL4916892 0.77 KMT2A (0.49) MEN1LMNAKMT2AGAAPOLB
SCHEMBL9638868 0.74 BRD4 (0.48) MEN1LMNAKMT2AGAATHRB
SCHEMBL4921272 0.74 KMT2A (0.47) MEN1LMNAKMT2AGAAPOLB
SCHEMBL3237870 0.74 NPC1 (0.54) MEN1LMNAKMT2AGAATHRB
SCHEMBL25838729 0.73 NPC1 (0.49) SHMT2MEN1LMNAKMT2AGAA
SCHEMBL29198941 0.72 SMN1; SMN2 (0.52) MEN1LMNAKMT2AGAATHRB
SCHEMBL4920375 0.72 HDAC6 (0.55) KMT2AHDAC1HDAC3HDAC2HDAC10

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 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 (2 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 SHMT2 675/4885MEN1 1562/4885LMNA 4560/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 SHMT2 677/4885MEN1 1683/4885LMNA 4579/4885

“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.