SCHEMBL12672001

SCHEMBL12672001

COC(=O)CCCCCNC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.67
HDAC3 O15379 4/20 0.66
HDAC4 P56524 4/20 0.66
HDAC1 Q13547 4/20 0.66
HDAC7 Q8WUI4 4/20 0.66
HDAC2 Q92769 4/20 0.66
HDAC10 Q969S8 4/20 0.66
HDAC11 Q96DB2 4/20 0.66
HDAC8 Q9BY41 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC9 Q9UKV0 4/20 0.66
HDAC5 Q9UQL6 4/20 0.66
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.61
PRSS1 P07477 1/20 0.59
CTSG P08311 1/20 0.59
CTRB1 P17538 1/20 0.59
CMA1 P23946 1/20 0.59
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL8028984 0.94 HDAC6 (0.68) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8019515 0.94 HDAC6 (0.68) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL3679714 0.94 PRSS1 (0.63) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8029208 0.93 HDAC1 (0.66) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8032587 0.90 HDAC1 (0.58) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8019496 0.90 HDAC6 (0.66) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL10865405 0.89 PRSS1 (0.76) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4932187 0.88 POLB (0.70) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4931676 0.88 POLB (0.70) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL4930836 0.88 POLB (0.70) NAAAHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018132905-A1 COMPOUNDS FOR TREATMENT OF GLIOBLASTOMA THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-26 WO disclosed
CN-105873588-A Compounds for the treatment of cancer and uses thereof 戈里奥诺瓦公司 2016-08-17 CN disclosed
US-20160214958-A1 COMPOUNDS AND USE FOR TREATING CANCER GLIONOVA AB (SE) 2016-07-28 US disclosed
US-20160214958-A1 COMPOUNDS AND USE FOR TREATING CANCER GLIONOVA AB (SE) 2016-07-28 US disclosed
US-20160214958-A1 COMPOUNDS AND USE FOR TREATING CANCER GLIONOVA AB (SE) 2016-07-28 US disclosed
EP-3043801-A2 COMPOUNDS AND USE FOR TREATING CANCER Glionova AB (SE) 2016-07-20 EP disclosed
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 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 (3 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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 NAAA 652/4885HDAC3 6/4885HDAC4 9/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 NAAA 420/4885HDAC3 3/4885HDAC4 7/4885
US-20160214958-A1 COMPOUNDS AND USE FOR TREATING CANCER KRAS, NRAS, HRAS NAAA 3091/4885HDAC3 818/4885HDAC4 791/4885

“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.