SCHEMBL436814

SCHEMBL436814

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45
NPC1 O15118 3/20 0.45
ANPEP P15144 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL437862 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1MEN1KMT2ARAB9A
SCHEMBL12760553 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1ANPEPMEN1KMT2A
SCHEMBL437902 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NPC1MEN1KMT2ARAB9A
SCHEMBL437900 0.80 SMN1; SMN2 (0.41) SMN1; SMN2HDAC1HDAC2HDAC10HDAC8
SCHEMBL439176 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL437829 0.77 ALDH1A1 (0.54) MEN1KMT2AHPGD
SCHEMBL17089355 0.77 HDAC3 (0.37) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL437768 0.72 ALDH1A1 (0.44) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL439156 0.71 ALDH1A1 (0.45) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL2730689 0.70 SMN1; SMN2 (0.85) SMN1; SMN2NPC1ANPEPMEN1KMT2A

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 6 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-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 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 SMN1; SMN2 2888/4885HDAC1 531/4885HDAC2 905/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 SMN1; SMN2 3977/4885HDAC1 991/4885HDAC2 1845/4885

“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.