SCHEMBL4923536

SCHEMBL4923536

O=C(NO)c1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.66
HDAC1 Q13547 10/20 0.66
HDAC2 Q92769 6/20 0.62
HDAC8 Q9BY41 5/20 0.62
HDAC3 O15379 4/20 0.62
HDAC4 P56524 4/20 0.62
HDAC7 Q8WUI4 4/20 0.62
HDAC10 Q969S8 4/20 0.62
HDAC11 Q96DB2 4/20 0.62
HDAC9 Q9UKV0 4/20 0.62
HDAC5 Q9UQL6 4/20 0.62
GABRP O00591 4/20 0.56
GABRD O14764 4/20 0.56
GABRA1 P14867 4/20 0.56
GABRB1 P18505 4/20 0.56
GABRG2 P18507 4/20 0.56
GABRB3 P28472 4/20 0.56
GABRA5 P31644 4/20 0.56
GABRA3 P34903 4/20 0.56
GABRA2 P47869 4/20 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
SCHEMBL8251765 0.86 GABRP (0.74) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8230790 0.85 GABRP (0.54) HDAC6HDAC1GABRPGABRDGABRA1
SCHEMBL31411210 0.81 GPR84 (0.67) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL445121 0.81 MAPT (0.61) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL4916893 0.78 HDAC1 (0.68) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL6205660 0.77 ADORA2A (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5804384 0.77 IGF1R (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2829167 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL7742074 0.76 NHERF1 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17831086 0.76 GABRP (0.68) HDAC6HDAC1HDAC2HDAC8HDAC3

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 US disclosed
CN-101087601-A Compounds for inhibiting copper-containing amine oxidases and uses thereof GENMEDICA THERAPEUTICS SL (ES) 2007-12-12 CN disclosed
EP-1796681-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF Genmedica Therapeutics SL (ES) 2007-06-20 EP disclosed
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2007-03-22 US disclosed
WO-2006013209-A2 COMPOUNDS FOR INHIBITING COPPER-CONTAINING AMINE OXIDASES AND USES THEREOF GENMEDICA THERAPEUTICS SL (ES) 2006-02-09 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 (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 HDAC6 2092/4885HDAC1 563/4885HDAC2 2145/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HDAC6 2060/4885HDAC1 622/4885HDAC2 2219/4885

“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.