SCHEMBL1233005

SCHEMBL1233005

O=C(O)C=Cc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
CA12 O43570 2/20 0.69
CA9 Q16790 2/20 0.69
CA2 P00918 1/20 0.69
ITGB3 P05106 1/20 0.64
ITGB1 P05556 1/20 0.64
ITGAV P06756 1/20 0.64
ITGA2B P08514 1/20 0.64
ITGB5 P18084 1/20 0.64
PTPN1 P18031 3/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 3/20 0.59
MAPK1 P28482 1/20 0.59
SIRT1 Q96EB6 1/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
HDAC2 Q92769 2/20 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
SCHEMBL1233002 1.00 PKM (0.70) PKMCA12CA9CA2ITGB3
SCHEMBL12425742 0.93 PKM (0.70) PKMCA12CA9CA2ITGB3
SCHEMBL5583041 0.91 PTPN1 (0.64) PKMCA12CA9CA2ITGB3
SCHEMBL5583040 0.91 PTPN1 (0.64) PKMCA12CA9CA2ITGB3
SCHEMBL27923704 0.89 KMT2A (0.75) PKMCA12CA9CA2PTPN1
SCHEMBL1233571 0.87 HDAC2 (0.67) CA12CA9CA2PTPN1NPC1
SCHEMBL1233568 0.87 HDAC2 (0.67) CA12CA9CA2PTPN1NPC1
SCHEMBL6965107 0.86 GAA (0.67) PKMCA12CA9CA2ITGB3
SCHEMBL6965101 0.86 GAA (0.67) PKMCA12CA9CA2ITGB3
SCHEMBL7948225 0.86 MITF (0.64) PKMPTPN1NPC1RAB9AMEN1

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 27 patents — showing the first 20. 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
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 US disclosed
EP-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
WO-2005082819-A2 METAL COMPLEXES FOR USE IN OLEFIN METATHESIS AND ATOM GROUP TRANSFER REACTIONS UNIVERSITEIT GENT (BE) 2005-09-09 WO disclosed
US-20040102649-A1 Water soluble chiral diphoshpines RHODIA CHIMIE (FR) 2004-05-27 US disclosed
US-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-05-13 US disclosed
US-6380412-B1 HYDROGENATION CATALYSTS RHONE-POULENC CHIMIE (FR) 2002-04-30 US disclosed
US-20020042540-A1 New 6,6'-bis-(1-phosphanorbornadiene) diphosphines, their preparation and their uses MATHEY FRANCOIS (FR) 2002-04-11 US disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 WO disclosed
US-6288279-B1 THEIR PREPARATION PROCESS AND THEIR USE IN ASYMMETRICAL CATALYSIS. REARRANGING A DIPHOSPHOLE, REACTING THE DIPHOSPHOLE WITH AN ACETYLENIC COMPOUND TO FORM THE DIPHOSPHINE RHODIA CHIMIE (FR) 2001-09-11 US disclosed
US-6037493-A Optically active diphosphines, preparation thereof according to a process for the resolution of the racemic mixture and use thereof RHONE-POULENC CHIMIE (FR) 2000-03-14 US disclosed
US-5783738-A Optically active diphosphines, preparation thereof according to a process for the resolution of the racemic mixture and use thereof RHONE-POULENC CHIMIE (FR) 1998-07-21 US disclosed
EP-0322236-B1 Catalytic process for preparing optically active threonine TAKASAGO PERFUMERY CO LTD (JP) 1994-05-04 EP disclosed
EP-0174057-B1 RUTHENIUM-PHOSPHINE COMPLEX CATALYSTS Takasago Perfumery Co., Ltd. (JP) 1988-08-24 EP disclosed
US-4691037-A CATALYSTS TAKASAGO PERFUMERY CO., LTD. (JP) 1987-09-01 US disclosed
EP-0174057-A2 Ruthenium-phosphine complex catalysts Takasago Perfumery Co., Ltd. (JP) 1986-03-12 EP 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 (6 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 PKM 1756/4885CA12 1364/4885CA9 1221/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 PKM 1854/4885CA12 664/4885CA9 271/4885
US-20040102649-A1 Water soluble chiral diphoshpines ADRA1B, ADRB1, ADRA1A PKM 4073/4885CA12 3413/4885CA9 3167/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 PKM 1550/4885CA12 1456/4885CA9 1240/4885
US-20020042540-A1 New 6,6'-bis-(1-phosphanorbornadiene) diphosphines, their preparation and their uses PHOSPHO1, DUS2, DCPS PKM 2573/4885CA12 3664/4885CA9 3440/4885
US-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS PKM 1910/4885CA12 3105/4885CA9 2383/4885

“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.