SCHEMBL4916893

SCHEMBL4916893

O=C(CNC(=O)c1c[nH]c2ccccc12)NO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.68
HDAC2 Q92769 4/20 0.68
HDAC3 O15379 4/20 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
GPR84 Q9NQS5 1/20 0.54
PBRM1 Q86U86 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.51
NR4A2 P43354 1/20 0.51
CREBBP Q92793 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51

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
SCHEMBL23162787 0.85 ADAM17 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29988626 0.85 ADAM17 (0.59) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL31411210 0.82 GPR84 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL23175280 0.81 ALOX5 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29988433 0.81 ALOX5 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17831086 0.80 GABRP (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL23205512 0.80 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29988302 0.80 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL28758435 0.80 STING1 (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL12903051 0.80 PBRM1 (0.60) 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.