SCHEMBL4925880

SCHEMBL4925880

NC(=O)CCC(C(=O)O)N(O)C(=O)CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.51
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRIK1 P39086 1/20 0.45
KDM4A O75164 1/20 0.44
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL4928230 0.88 ALOX5 (0.40) ALOX5TDP1
SCHEMBL20163297 0.80 HDAC8 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4923941 0.79 TAAR1 (0.37) ALOX5NPC1RAB9A
SCHEMBL7859 0.77 HDAC1 (0.72) ALOX5HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL23062929 0.75 HDAC1 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL30882401 0.75 HDAC1 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
Water SCHEMBL28210512 0.75 HDAC1 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL30882658 0.75 HDAC1 (0.69) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL5020709 0.74 HDAC1 (0.67) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL8398528 0.74 NPC1 (0.41) GRIK1NPC1RAB9A

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 ALOX5 533/4885HDAC3 3274/4885HDAC1 563/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 ALOX5 557/4885HDAC3 3414/4885HDAC1 622/4885

“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.