SCHEMBL1231685

SCHEMBL1231685

O=C(CCCNC(=O)OCc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.85
NMBR P28336 2/20 0.64
ECE1 P42892 3/20 0.59
PLG P00747 3/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
PPARG P37231 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MEN1 O00255 1/20 0.58
HCRTR1 O43613 1/20 0.58
KMT2A Q03164 1/20 0.58
ACE P12821 1/20 0.58
EPHX2 P34913 1/20 0.58
MME P08473 2/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL1232450 1.00 BMP1 (0.85) BMP1NMBRECE1PLGMAPT
SCHEMBL12672467 0.89 BMP1 (0.87) BMP1NMBRMAPTGAAHTT
SCHEMBL5391056 0.88 BMP1 (0.67) BMP1NMBRECE1PLGMAPT
SCHEMBL2921404 0.87 NMBR (0.66) BMP1NMBRECE1PLGMAPT
SCHEMBL29935468 0.86 NMBR (0.76) NMBRECE1MAPTGAAHTT
SCHEMBL1285921 0.86 NMBR (0.76) NMBRECE1MAPTGAAHTT
SCHEMBL29401760 0.86 NMBR (0.76) NMBRECE1MAPTGAAHTT
SCHEMBL3808330 0.86 NMBR (0.76) NMBRECE1MAPTGAAHTT
SCHEMBL29386277 0.86 NMBR (0.76) NMBRECE1MAPTGAAHTT
SCHEMBL220800 0.86 NMBR (0.76) NMBRECE1MAPTGAAHTT

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-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
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed
EP-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
US-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-05-13 US disclosed
EP-1335898-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS Prolifix Limited (GB) 2003-08-20 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO 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-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 BMP1 3910/4885NMBR 4546/4885ECE1 3163/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 BMP1 3543/4885NMBR 4009/4885ECE1 2464/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 BMP1 3172/4885NMBR 4498/4885ECE1 3484/4885

“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.