SCHEMBL1233002

SCHEMBL1233002

O=C(O)/C=C/c1ccc(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
SCHEMBL1233005 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 18 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
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-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 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-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 PKM 1550/4885CA12 1456/4885CA9 1240/4885

“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.