SCHEMBL3090710

SCHEMBL3090710

CCN(CC)C(=O)C(Cc1cnn(C/C=C/c2ccccc2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC2 Q92769 4/20 0.39
NCOR2 Q9Y618 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL3090715 1.00 HDAC3 (0.42) HDAC3HDAC1ALDH1A1NPC1L3MBTL1
SCHEMBL3078792 0.91 MMP8 (0.40) HDAC3HDAC1ALDH1A1NPC1L3MBTL1
SCHEMBL3078796 0.91 MMP8 (0.40) HDAC3HDAC1ALDH1A1NPC1L3MBTL1
SCHEMBL3093083 0.88 HDAC3 (0.49) HDAC3HDAC1ALDH1A1HDAC2NCOR2
SCHEMBL3093071 0.88 HDAC3 (0.49) HDAC3HDAC1ALDH1A1HDAC2NCOR2
SCHEMBL3103273 0.82 LARS1 (0.39) HDAC3HDAC1ALDH1A1HDAC2NCOR2
SCHEMBL3103267 0.82 LARS1 (0.39) HDAC3HDAC1ALDH1A1HDAC2NCOR2
SCHEMBL3090818 0.82 L3MBTL1 (0.43) HDAC3HDAC1ALDH1A1L3MBTL1NCOR2
SCHEMBL15014145 0.77 HDAC3 (0.46) HDAC3HDAC1ALDH1A1HDAC2NCOR2
SCHEMBL3089258 0.77 L3MBTL1 (0.45) ALDH1A1L3MBTL1KDM4EPKM

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-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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 (1 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 HDAC3 758/4885HDAC1 1764/4885ALDH1A1 617/4885

“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.