SCHEMBL1762773

SCHEMBL1762773

O=C1NC(=O)C(c2ccco2)=C1c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.48
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
PTPN7 P35236 2/20 0.43
RECQL P46063 2/20 0.43
BLM P54132 2/20 0.43
CASP7 P55210 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1277090 0.83 TDP2 (0.41) CAMK2DALDH1A1KDM4EHPGDPOLB
SCHEMBL14854128 0.81 TDP2 (0.43) CAMK2DALDH1A1KDM4EHPGDPOLB
SCHEMBL15715363 0.78 TDP2 (0.38) CAMK2DALDH1A1KDM4EHPGDPOLB
SCHEMBL12424813 0.72 TDP2 (0.43) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL2270426 0.71 TDP2 (0.39) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL1799678 0.71 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL12424807 0.70 ADORA2B (0.36) CAMK2DALDH1A1KDM4EHPGDPOLB
SCHEMBL18170632 0.70 TDP2 (0.41) CAMK2DKDM4EPOLBMEN1KMT2A
SCHEMBL12178007 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDPOLBMEN1
SCHEMBL1801873 0.67 NAT1 (0.38) ALDH1A1KDM4EHPGDPOLBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124703-A1 MOLECULES COMPRISING A BIS(HETEROARYL)MALEIMIDE BACKBONE, AND USE THEREOF IN THE INHIBITION OF DDE/DDD ENZYMES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-26 US disclosed
EP-2240471-A1 MOLECULES COMPRISING A BIS(HETEROARYL)MALEIMIDE BACKBONE, AND USE THEREOF IN THE INHIBITION OF DDE/DDD ENZYMES Centre National de la Recherche Scientifique (FR) 2010-10-20 EP disclosed
WO-2009098206-A1 MOLECULES COMPRISING A BIS(HETEROARYL)MALEIMIDE BACKBONE, AND USE THEREOF IN THE INHIBITION OF DDE/DDD ENZYMES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-08-13 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 (1 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-20110124703-A1 MOLECULES COMPRISING A BIS(HETEROARYL)MALEIMIDE BACKBONE, AND USE THEREOF IN THE INHIBITION OF DDE/DDD ENZYMES DDT, DDC, DTD1 CAMK2D 2502/4885ALDH1A1 1691/4885KDM4E 176/4885

“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.