SCHEMBL4928682

SCHEMBL4928682

O=C(CNC(=O)c1ccc(Br)cc1)NO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.61
OGG1 O15527 1/20 0.57
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.48

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
Benurestat SCHEMBL635899 0.83 MMP1 (0.82) MMP1ALDH1A1HDAC1HDAC8HDAC3
SCHEMBL11153026 0.83 KDM4E (0.68) MMP1ALDH1A1POLBHDAC1HDAC8
SCHEMBL8907760 0.82 KDM4E (0.67) OGG1ALDH1A1POLBKMT2AMEN1
SCHEMBL7412271 0.82 MMP1 (0.73) MMP1HDAC1HDAC8HDAC3HDAC4
SCHEMBL16898615 0.82 OGG1 (0.63) OGG1ALDH1A1POLBHDAC1HDAC3
Hydrochloric Acid SCHEMBL10770121 0.81 KDM4E (0.66) MMP1ALDH1A1POLBHDAC1HDAC8
SCHEMBL25316335 0.81 OGG1 (0.57) OGG1ALDH1A1POLBHDAC1HDAC8
SCHEMBL26568488 0.81 OGG1 (0.57) OGG1ALDH1A1POLBHDAC1HDAC3
SCHEMBL11668774 0.79 MMP1 (0.68) MMP1ALDH1A1POLBHDAC6KMT2A
Benurestat SCHEMBL11326226 0.78 MMP1 (0.73) MMP1HDAC1HDAC8HDAC3HDAC4

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US claimed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US claimed
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
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 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 MMP1 387/4885OGG1 949/4885ALDH1A1 28/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 MMP1 510/4885OGG1 1010/4885ALDH1A1 27/4885

“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.