SCHEMBL241983

SCHEMBL241983

CN(C)CCNc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FERMT2 Q96AC1 1/20 0.51
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR1A P08908 8/20 0.45
ADRA1D P25100 8/20 0.45
ADRA1A P35348 8/20 0.45
ADRA1B P35368 8/20 0.45
CYP1A2 P05177 1/20 0.42
SLC40A1 Q9NP59 1/20 0.41
NCF1 P14598 2/20 0.40
PDE5A O76074 1/20 0.40
CCR1 P32246 1/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
HPGD P15428 1/20 0.40
SMARCA2 P51531 1/20 0.40

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
SCHEMBL243582 0.93 FERMT2 (0.61) FERMT2LMNAKDM4EHTTHSD17B10
SCHEMBL241000 0.88 KDM4E (0.61) FERMT2LMNAKDM4EHTTHSD17B10
SCHEMBL4986900 0.83 HTR1A (0.49) FERMT2HTR1AADRA1DADRA1AADRA1B
SCHEMBL241335 0.83 HTR1A (0.44) FERMT2LMNAKDM4EHTTHTR1A
SCHEMBL13993581 0.82 PDE5A (0.44) FERMT2LMNAKDM4EHTTHSD17B10
SCHEMBL242002 0.81 NR4A2 (0.40) FERMT2LMNAKDM4EHSD17B10HTR1A
SCHEMBL237848 0.80 RET (0.39) KDM4EHTR1ANCF1POLBMITF
SCHEMBL242051 0.78 MEN1 (0.55) LMNAMEN1POLBKMT2AMITF
SCHEMBL242703 0.78 HRH3 (0.60) LMNAMEN1POLBKMT2AMITF
SCHEMBL238033 0.77 HTR1A (0.41) FERMT2LMNAKDM4EHTTHTR1A

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 20 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
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
US-6989387-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-01-24 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
US-20040110760-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-06-10 US disclosed
WO-2004014918-A1 NITRO AND AMINO SUBSTITUTED TOPOISOMERASE AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2004-02-19 WO 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 (6 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 FERMT2 4169/4885LMNA 128/4885KDM4E 1678/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B FERMT2 4169/4885LMNA 128/4885KDM4E 1678/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 FERMT2 4182/4885LMNA 1475/4885KDM4E 1059/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B FERMT2 4169/4885LMNA 128/4885KDM4E 1678/4885
US-20040110760-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B FERMT2 3960/4885LMNA 1178/4885KDM4E 1276/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B FERMT2 4169/4885LMNA 128/4885KDM4E 1678/4885

“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.