SCHEMBL4352279

SCHEMBL4352279

COC(=O)c1cc(N=N)cc2c1OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
PLK1 P53350 1/20 0.41
MAPT P10636 5/20 0.39
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TARBP2 Q15633 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL13315474 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL31160025 0.78 KDM4E (0.60) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL19124972 0.78 KDM4E (0.53) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL1055010 0.78 KDM4E (0.53) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL1056103 0.78 KDM4E (0.60) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL13315477 0.74 KDM4E (0.49) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL13315476 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL13315456 0.74 KDM4E (0.48) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL13603039 0.74 KDM4E (0.48) ALDH1A1KDM4EPLK1MAPTTP53
SCHEMBL1056621 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EPLK1MAPTTP53

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
EP-1648455-A4 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-03-04 EP disclosed
US-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2007-02-08 US disclosed
EP-1648455-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-04-26 EP disclosed
WO-2005009389-A2 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-02-03 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-20070032515-A1 Anaplastic lymphoma kinase modulators and methods of use ALK, MALT1, BCL6 ALDH1A1 1285/4885KDM4E 627/4885PLK1 425/4885

“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.