SCHEMBL4940211

SCHEMBL4940211

O=C(CNC(=O)c1cc2ccccc2[nH]1)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.68
HDAC2 Q92769 4/20 0.68
HDAC3 O15379 3/20 0.68
HDAC4 P56524 3/20 0.68
HDAC7 Q8WUI4 3/20 0.68
HDAC10 Q969S8 3/20 0.68
HDAC11 Q96DB2 3/20 0.68
HDAC8 Q9BY41 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
HDAC9 Q9UKV0 3/20 0.68
HDAC5 Q9UQL6 3/20 0.68
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.63
MAPK1 P28482 1/20 0.63
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60
HSD17B10 Q99714 1/20 0.60
AKR1C3 P42330 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL8870837 0.85 KDM4E (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1204956 0.84 KDM4E (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13113077 0.84 DRD2 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL721792 0.82 KDM4E (0.72) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL31081137 0.82 KDM4E (0.72) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13039731 0.82 HDAC1 (0.97) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12672868 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL13101463 0.81 DRD2 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7087439 0.81 DRD2 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5279027 0.80 KDM4E (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7

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 3 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
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 HDAC1 563/4885HDAC2 2145/4885HDAC3 3274/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HDAC1 622/4885HDAC2 2219/4885HDAC3 3414/4885

“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.