SCHEMBL1233089

SCHEMBL1233089

O=C(O)/C=C/c1cccn1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
MDM2 Q00987 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 7/20 0.43
TDP1 Q9NUW8 6/20 0.43
POLB P06746 6/20 0.43
RECQL P46063 5/20 0.43
APEX1 P27695 4/20 0.43
HTT P42858 3/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
CACNA1B Q00975 2/20 0.42
APBA1 Q02410 2/20 0.42
MCL1 Q07820 2/20 0.42
THRB P10828 2/20 0.42
USP2 O75604 1/20 0.42
NSD2 O96028 1/20 0.42
TNNI3 P19429 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
SCHEMBL1233090 1.00 PKM (0.47) PKMALDH1A1KDM4EMDM2ATM
SCHEMBL4003906 0.78 PKM (0.49) PKMALDH1A1KDM4EATML3MBTL1
SCHEMBL4003909 0.78 PKM (0.49) PKMALDH1A1KDM4EATML3MBTL1
SCHEMBL1419333 0.76 ATM (0.69) PKMALDH1A1KDM4EATML3MBTL1
SCHEMBL9904825 0.74 MAPT (0.68) PKMALDH1A1KDM4EATML3MBTL1
SCHEMBL9904823 0.74 MAPT (0.68) PKMALDH1A1KDM4EATML3MBTL1
SCHEMBL20917138 0.71 POLB (0.50) PKMALDH1A1KDM4EATML3MBTL1
SCHEMBL3207853 0.71 RECQL (0.44) ALDH1A1KDM4EATML3MBTL1TDP1
SCHEMBL3207845 0.71 RECQL (0.44) ALDH1A1KDM4EATML3MBTL1TDP1
SCHEMBL7824949 0.70 L3MBTL1 (0.52) PKMALDH1A1KDM4EL3MBTL1TDP1

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-B1 Carbamic acid compounds comprising an amide linkage for the treatment of malaria TOPOTARGET UK LTD (GB) 2009-05-06 EP disclosed
EP-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
EP-1335898-B1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (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

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 1756/4885ALDH1A1 1157/4885KDM4E 122/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 PKM 1854/4885ALDH1A1 692/4885KDM4E 68/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 PKM 1550/4885ALDH1A1 727/4885KDM4E 129/4885

“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.