SCHEMBL2127724

SCHEMBL2127724

CCCC(C(N)=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SLC1A2 P43004 3/20 0.42
SLC1A1 P43005 3/20 0.42
SLC1A3 P43003 2/20 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
SCHEMBL13884916 1.00 HDAC7 (0.43) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL4595724 0.86 CA2 (0.52) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL4594560 0.86 CA2 (0.52) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL4594802 0.86 CA2 (0.52) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL7477484 0.85 HDAC7 (0.39) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL12285998 0.85 CA1 (0.45) SLC1A2SLC1A1GRIK1GRIK2CA1
SCHEMBL25389975 0.83 GRIK1 (0.44) SLC1A2SLC1A1GRIK1GRIK2CA1
SCHEMBL28458244 0.83 GRIK1 (0.44) SLC1A2SLC1A1GRIK1GRIK2CA1
SCHEMBL28958158 0.83 GRIK1 (0.44) SLC1A2SLC1A1GRIK1GRIK2CA1
SCHEMBL15338772 0.82 GRIK1 (0.39) HDAC7HDAC8HDAC6HDAC9HDAC5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336642-A1 INHIBITORS OF 12/15-LIPOXYGENASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-10-10 US disclosed
CN-105481862-B novel inhibitors of F L T3 kinase and uses thereof 中国科学院合肥物质科学研究院 2018-08-21 CN disclosed
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-06-04 US disclosed
EP-2215148-B1 ORGANOPOLYSILOXANES COMPRISING QUATERNARY AMMONIUM GROUPS, THE PRODUCTION AND USE THEREOF WACKER CHEMIE AG (DE) 2012-04-25 EP disclosed
US-20100243944-A1 ORGANOPOLYSILOXANES CONTAINING QUATERNARY AMMONIUM GROUPS, THE PRODUCTION AND USE THEREOF WACKER CHEMIE AG (DE) 2010-09-30 US disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed
US-4246151-A COMPOSITION COMPRISING THE REACTION PRODUCT OF AN EPOXIDIZED ADDITION POLYMER WITH AN AMINE, PLUS A PARTIALLY OR FULLY BLOCKED POLYISOCYANATE AKZO N.V. (NL) 1981-01-20 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-20240336642-A1 INHIBITORS OF 12/15-LIPOXYGENASE ALOX15, LOX, ALOX12 HDAC7 1473/4885HDAC8 1854/4885HDAC6 2029/4885
US-20150152064-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 HDAC7 2043/4885HDAC8 1989/4885HDAC6 362/4885

“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.