SCHEMBL4979826

SCHEMBL4979826

COOC(=O)c1ncc(Cl)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR4 P51679 1/20 0.31
GRM5 P41594 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4014560 0.86 NPSR1 (0.48) ALDH1A1NPSR1MAPK1GRM5KDM4E
SCHEMBL29585697 0.86 NPSR1 (0.48) ALDH1A1NPSR1MAPK1GRM5KDM4E
SCHEMBL14775168 0.76 MEN1 (0.37) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL30399474 0.76 MEN1 (0.37) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL27778060 0.75 SIRT6 (0.38) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL4295743 0.75 TDP1 (0.38) ALDH1A1NPSR1MAPTNPC1TP53
SCHEMBL25396719 0.74 SIRT6 (0.41) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL29535934 0.74 MEN1 (0.46) ALDH1A1NPSR1MAPTMAPK1HSD17B10
SCHEMBL1615193 0.74 MEN1 (0.46) ALDH1A1NPSR1MAPTMAPK1HSD17B10
SCHEMBL15874059 0.73 PKM (0.34) ALDH1A1MAPTTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-20040142930-A1 Cyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-22 US disclosed
US-20030229089-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2003-12-11 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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-20030229089-A1 Cyclic compounds PDE3B, PDE5A, PDE9A ALDH1A1 1341/4885NPSR1 559/4885MAPT 4760/4885
US-20040142930-A1 Cyclic compounds PDE3B, PDE4A, PDE5A ALDH1A1 1392/4885NPSR1 571/4885MAPT 4747/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B ALDH1A1 1483/4885NPSR1 253/4885MAPT 4804/4885

“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.