SCHEMBL439176

SCHEMBL439176

Cc1ccc(C(=O)NC(COCCC(=O)NO)(COCCC(=O)NO)COCCC(=O)NO)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC3 O15379 4/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
TDP1 Q9NUW8 3/20 0.42
NCOR2 Q9Y618 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.39

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
SCHEMBL437844 0.85 TDP1 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL436814 0.80 SMN1; SMN2 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL12759915 0.80 TSHR (0.43) HDAC1HDAC6TDP1TSHRALDH1A1
SCHEMBL437768 0.79 ALDH1A1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL439156 0.77 ALDH1A1 (0.45) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL13656814 0.75 KMT2A (0.41) HDAC1ALDH1A1GAAKMT2AMMP1
SCHEMBL439967 0.74 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL26699926 0.73 MAPT (0.39) HDAC2GAAKMT2A
SCHEMBL437829 0.72 ALDH1A1 (0.54) ALDH1A1GAAKMT2AMMP1
SCHEMBL12723205 0.72 ALDH1A1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC10

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-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 HDAC1 531/4885HDAC6 523/4885HDAC3 792/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 HDAC1 991/4885HDAC6 1443/4885HDAC3 1462/4885

“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.