SCHEMBL242600

SCHEMBL242600

COc1cc(I)c(C(=O)N(c2ccnc3cc4c(cc23)OCO4)C(C)CN(C)C)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
PKM P14618 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
PDE5A O76074 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LCK P06239 1/20 0.32
MET P08581 1/20 0.32
KDR P35968 1/20 0.32
SRC P12931 1/20 0.32
TGFBR1 P36897 1/20 0.32
MPO P05164 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL238448 0.90 ALDH1A1 (0.37) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL240953 0.86 ALDH1A1 (0.33) ALDH1A1HTTNPSR1LMNAPDGFRB
SCHEMBL238449 0.84 HTR2C (0.41) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL13993580 0.83 ALDH1A1 (0.39) ALDH1A1HTTNPSR1LMNAPDGFRB
SCHEMBL240763 0.83 KMT2A (0.42) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL4986665 0.80 GABRA1 (0.40) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL239478 0.79 KMT2A (0.43) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL243661 0.77 EHMT2 (0.42) TDP1METRAB9ACYP2D6CYP2C19
SCHEMBL528341 0.77 ALDH1A1 (0.32) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL242365 0.77 HTR1A (0.38) METRAB9ACYP3A4CYP2D6CYP2C19

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-2012015901-A1 METHODS FOR TREATING GASTRIC AND PANCREATIC MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO disclosed
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL 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 ALDH1A1 3459/4885HTT 4124/4885NPSR1 3716/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B ALDH1A1 3459/4885HTT 4124/4885NPSR1 3716/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 ALDH1A1 115/4885HTT 4115/4885NPSR1 732/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B ALDH1A1 3459/4885HTT 4124/4885NPSR1 3716/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B ALDH1A1 3459/4885HTT 4124/4885NPSR1 3716/4885

“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.