SCHEMBL4920375

SCHEMBL4920375

O=C(NCc1ccc(C(=O)NO)cc1)Nc1cccnc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.55
HDAC1 Q13547 11/20 0.55
HDAC11 Q96DB2 4/20 0.55
HDAC2 Q92769 5/20 0.52
HDAC3 O15379 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
NCOR2 Q9Y618 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9637625 0.78 NPC1 (0.56) SMN1; SMN2KMT2A
SCHEMBL4921268 0.74 HDAC6 (0.69) HDAC6HDAC1HDAC11HDAC2HDAC3
SCHEMBL4930695 0.74 HDAC6 (0.53) HDAC6HDAC1HDAC11SMN1; SMN2KMT2A
SCHEMBL1566140 0.74 SMN1; SMN2 (0.57) HDAC1HDAC2SMN1; SMN2KMT2A
SCHEMBL4916892 0.73 KMT2A (0.49) HDAC6SMN1; SMN2KMT2A
SCHEMBL4921364 0.73 HDAC1 (0.67) HDAC6HDAC1HDAC11HDAC2HDAC3
SCHEMBL4930733 0.73 HDAC6 (0.67) HDAC6HDAC1HDAC11HDAC2HDAC3
SCHEMBL4930503 0.72 SHMT2 (0.48) HDAC6HDAC1HDAC11HDAC2HDAC3
SCHEMBL1048418 0.72 NAMPT (0.63) HDAC6HDAC3HDAC8SMN1; SMN2KMT2A
SCHEMBL4916917 0.71 KDR (0.47) HDAC6HDAC8SMN1; SMN2KMT2A

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 HDAC6 2092/4885HDAC1 563/4885HDAC11 897/4885
US-20070066646-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 HDAC6 2060/4885HDAC1 622/4885HDAC11 929/4885

“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.