SCHEMBL1233381

SCHEMBL1233381

O=C(CCCNC(=O)OCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.70
NMBR P28336 4/20 0.58
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
CA2 P00918 1/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.51
SIRT5 Q9NXA8 1/20 0.50
PLG P00747 3/20 0.49
TERT O14746 1/20 0.49

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
SCHEMBL1231836 1.00 BMP1 (0.70) BMP1NMBRMMP9MMP8CA2
SCHEMBL1233311 0.90 BRS3 (0.55) BMP1NMBR
SCHEMBL1233313 0.90 BRS3 (0.55) BMP1NMBR
SCHEMBL12672467 0.88 BMP1 (0.87) BMP1NMBRMMP9MMP8CA2
SCHEMBL17635785 0.85 ACHE (0.54) BMP1TERT
SCHEMBL1231847 0.83 HDAC3 (0.48) BMP1NMBR
SCHEMBL1233283 0.83 HDAC3 (0.48) BMP1NMBR
SCHEMBL1231685 0.82 BMP1 (0.85) BMP1NMBRMMP9MMP8MAPT
SCHEMBL1232450 0.82 BMP1 (0.85) BMP1NMBRMMP9MMP8MAPT
SCHEMBL2370248 0.81 NMBR (0.85) BMP1NMBRCA2MAPTGAA

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 15 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-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-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
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 4546/4885MMP9 2727/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 BMP1 3543/4885NMBR 4009/4885MMP9 853/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 BMP1 3172/4885NMBR 4498/4885MMP9 1439/4885

“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.