SCHEMBL2724768

SCHEMBL2724768

S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.70
ALDH1A1 P00352 11/20 0.70
GAA P10253 10/20 0.70
MAPT P10636 10/20 0.66
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
THRB P10828 1/20 0.66
PABPC1 P11940 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.62
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 3/20 0.53
KDM4D Q6B0I6 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
PKM P14618 1/20 0.51
RAD52 P43351 1/20 0.49
RAB9A P51151 1/20 0.49
EGFR P00533 1/20 0.49
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL19380432 0.73 MAPT (0.97) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL3633562 0.71 KDM4E (0.65) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL14119898 0.70 LMNA (1.00) KDM4EALDH1A1GAAMAPTL3MBTL1
SCHEMBL5997551 0.68 KDM4D (0.98) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL14574194 0.68 MAPT (0.69) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL5992705 0.68 KDM4D (1.00) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL20866608 0.66 ALDH1A1 (0.64) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9613368 0.64 PTPN7 (1.00) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL11070928 0.64 ALDH1A1 (0.50) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL14186865 0.64 MAPT (0.60) KDM4EGAAMAPTL3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080824-A1 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2014-03-20 US claimed
WO-2012054739-A2 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2012-04-26 WO claimed
US-20140080824-A1 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2014-03-20 US disclosed
WO-2012054739-A2 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING NEW YORK UNIVERSITY (US) 2012-04-26 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-20140080824-A1 STRUCTURE-GUIDED IDENTIFICATION OF BINDING INTERACTIONS OF HUMAN LAMININ RECEPTOR PRECURSOR WITH LAMININ AND IDENTIFICATION OF COMPOUNDS THAT AFFECT BINDING LAMTOR3, L1CAM, AGER KDM4E 3956/4885ALDH1A1 3214/4885GAA 1910/4885

“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.