SCHEMBL241000

SCHEMBL241000

CCN(CC)CCNc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CDK1 P06493 1/20 0.47
HTR1A P08908 7/20 0.43
ADRA1D P25100 7/20 0.43
ADRA1A P35348 7/20 0.43
ADRA1B P35368 7/20 0.43
FERMT2 Q96AC1 1/20 0.41
CHEK1 O14757 1/20 0.40
PIM1 P11309 1/20 0.40
IDO1 P14902 1/20 0.40
LTK P29376 1/20 0.40
LIMK1 P53667 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL241983 0.88 FERMT2 (0.51) KDM4ELMNAHTTHSD17B10HTR1A
SCHEMBL4986900 0.84 HTR1A (0.49) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL13993581 0.83 PDE5A (0.44) KDM4ELMNAHTTHSD17B10HTR1A
SCHEMBL243582 0.83 FERMT2 (0.61) KDM4ELMNAHTTHSD17B10CDK1
SCHEMBL241335 0.81 HTR1A (0.44) KDM4ELMNAHTTCDK1HTR1A
SCHEMBL240465 0.81 KDM4E (0.39) KDM4ELMNAHTTHSD17B10CHEK1
SCHEMBL3783903 0.78 HTR1A (0.40) KDM4ELMNAHTTHSD17B10CDK1
SCHEMBL242051 0.76 MEN1 (0.55) LMNA
SCHEMBL15472862 0.76 KDM4E (0.62) KDM4ELMNAHTTHSD17B10CDK1
SCHEMBL12871598 0.76 KDM4E (0.73) KDM4ELMNAHTTHSD17B10CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389721-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-03-05 US disclosed
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
WO-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
US-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 US disclosed
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-06-09 US disclosed
EP-2286812-A1 Solubilized topoisomerase poisons Rutgers, The State University (US) 2011-02-23 EP disclosed
US-7781587-B2 antitumor; breast cancer; 8,9-Dimethoxy-2,3-methylenedioxy-5-[2-(N,N-dimethylamino)ethyl]-5H-dibenzo[c,h]1,6-naphthyridin-6-one RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-24 US disclosed
WO-2010088544-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-08-05 WO disclosed
EP-2196205-A1 Topoisomerase poisons Rutgers, The State University (US) 2010-06-16 EP disclosed
EP-1465625-B1 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2010-02-03 EP disclosed
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 US disclosed
US-7517883-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-14 US disclosed
US-7049315-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-05-23 US disclosed
US-20060052381-A1 Solubilized topoisomerase poisons LAVOIE EDMOND J 2006-03-09 US disclosed
EP-1465625-A4 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2005-06-08 EP disclosed
US-20050009824-A1 Solubilized topoisomerase poisons RUTGERS, STATE UNIVERSITY OF NEW JERSEY, THE 2005-01-13 US disclosed
EP-1465625-A2 SOLUBILIZED TOPOISOMERASE POISONS Rutgers, The State University (US) 2004-10-13 EP disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 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 (5 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-20050009824-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B KDM4E 1678/4885LMNA 128/4885HTT 4124/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B KDM4E 1678/4885LMNA 128/4885HTT 4124/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 KDM4E 1059/4885LMNA 1475/4885HTT 4115/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B KDM4E 1678/4885LMNA 128/4885HTT 4124/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B KDM4E 1678/4885LMNA 128/4885HTT 4124/4885

“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.