SCHEMBL1231850

SCHEMBL1231850

O=C(ON1C(=O)CCC1=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
HRH3 Q9Y5N1 2/20 0.46
DRD3 P35462 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
CBX7 O95931 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL12444640 0.95 CES2 (0.43) CES2CES1HRH3DRD3RAB9A
SCHEMBL9551376 0.86 KMT2A (0.44) HRH3RAB9AMEN1KMT2AMAPK1
SCHEMBL17898505 0.85 SMYD3 (0.41) HRH3RAB9AKMT2ACDYL2CDYL
SCHEMBL12444650 0.83 KMT2A (0.49) CES2CES1MEN1KMT2AHPGD
SCHEMBL14860981 0.82 MAPK1 (0.48) KMT2AHPGDTSHRMAPK1LMNA
SCHEMBL9551402 0.81 GLA (0.48) KMT2ALMNAKDM4EHSD17B10TDP1
SCHEMBL300884 0.81 CA12 (0.42) RAB9AMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL30737306 0.80 SLC9A1 (0.48) HRH3MEN1KMT2AHPGDCBX7
SCHEMBL16261009 0.80 ALOX15 (0.60) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19309377 0.80 KMT2A (0.53) RAB9AKMT2ATSHRSMN1; SMN2MAPK1

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 28 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-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
WO-2004007449-A1 PROCESS FOR CONVERSION OF PHENOLS TO CARBOXAMIDES VIA THE SUCCINIMIDE ESTERS RENSSELAER POLYTECHNIC INSTITUTE (US) 2004-01-22 WO 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
US-5340802-A Central nervous system disorders ABBOTT LABORATORIES (US) 1994-08-23 US disclosed
WO-1994018229-A1 1,2,4-TRIAZINONE DERIVATIVES AND THEIR USE IN THERAPY FISONS CORPORATION (US) 1994-08-18 WO disclosed
EP-0449884-A4 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS 1991-10-30 EP disclosed
EP-0449884-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-10-09 EP disclosed
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed
WO-1990006937-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 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 CES2 1249/4885CES1 228/4885HRH3 185/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 CES2 852/4885CES1 258/4885HRH3 588/4885

“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.