SCHEMBL3279474

SCHEMBL3279474

O=C(O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
HPGD P15428 9/20 0.58
ALDH1A1 P00352 8/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.56
HSD17B10 Q99714 5/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 3/20 0.56
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TSHR P16473 4/20 0.50
MAP2K1 Q02750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL14014107 0.92 TP53 (0.55) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL14014090 0.92 TP53 (0.55) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL14014091 0.87 KDM4E (0.64) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL14014089 0.86 KDM4E (0.49) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL2459037 0.85 KDM4E (0.56) KDM4EHPGDALDH1A1HSD17B10MAPK1
SCHEMBL4206882 0.84 HPGD (0.61) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL4198076 0.83 HPGD (0.64) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL14014094 0.82 KDM4E (0.57) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL4211047 0.82 LMNA (0.74) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL3283135 0.81 KDM4E (0.84) KDM4EHPGDALDH1A1HTTMEN1

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-7700615-B2 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2010-04-20 US disclosed
EP-1576110-A4 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2007-11-07 EP disclosed
US-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-7012100-B1 Cell migration inhibiting compositions and methods and compositions for treating cancer AVOLIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
EP-1576110-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER Avolix Pharmaceuticals (US) 2005-09-21 EP disclosed
WO-2003102153-A2 CELL MIGRATION INHIBITING COMPOSITIONS AND METHODS AND COMPOSITIONS FOR TREATING CANCER AVOLIX PHARMACEUTICALS (US) 2003-12-11 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-20060128742-A1 Cell migration inhibiting compositions and methods and compositions for treating cancer MKI67, DCX, NUDC KDM4E 4356/4885HPGD 1603/4885ALDH1A1 1944/4885

“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.