SCHEMBL1884141

SCHEMBL1884141

COC(=O)CCCCCNC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
HDAC6 Q9UBN7 6/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC3 O15379 1/20 0.58
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
MAPK1 P28482 3/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
ESRRG P62508 1/20 0.56
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL9490980 0.88 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28706039 0.85 NPC1 (0.60) ALDH1A1MAPTHDAC6HDAC1HDAC3
SCHEMBL28706800 0.85 NPC1 (0.60) ALDH1A1MAPTHDAC6HDAC1HDAC3
SCHEMBL2631174 0.85 L3MBTL1 (0.68) ALDH1A1MAPTKMT2AHDAC1HDAC3
SCHEMBL1232846 0.84 NPC1 (0.59) ALDH1A1MAPTHDAC6HDAC1HDAC3
SCHEMBL1233065 0.84 NPC1 (0.82) ALDH1A1SMN1; SMN2KMT2AHDAC6HDAC1
SCHEMBL4954251 0.84 NPC1 (0.59) ALDH1A1MAPTHDAC6HDAC1HDAC3
SCHEMBL450259 0.84 NPC1 (0.59) ALDH1A1MAPTMEN1KMT2AHDAC6
SCHEMBL6878819 0.84 HDAC6 (0.71) HDAC6MAPK1LMNA
SCHEMBL12672001 0.84 NAAA (0.67) ALDH1A1SMN1; SMN2HDAC6HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US 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-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-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
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 (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-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 ALDH1A1 692/4885SMN1; SMN2 4544/4885MAPT 2818/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 ALDH1A1 727/4885SMN1; SMN2 4082/4885MAPT 1967/4885

“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.