SCHEMBL238580

SCHEMBL238580

NC(=O)c1ccccc1I.Nc1ccnc2cc3c(cc12)OOC3

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.33
NUDT1 P36639 1/20 0.32
OPRL1 P41146 1/20 0.32
SYK P43405 3/20 0.31
HSP90AA1 P07900 1/20 0.31
NQO2 P16083 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
AURKA O14965 2/20 0.31
MET P08581 2/20 0.31
KDR P35968 2/20 0.31
TEK Q02763 2/20 0.31
AURKB Q96GD4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL242406 0.84 NQO2 (0.31) NQO2
SCHEMBL238581 0.83 MAPK9 (0.43) NCF1OPRL1HSP90AA1AURKAAURKB
SCHEMBL242407 0.67 NPC1 (0.41) KDM4EAURKAAURKBALDH1A1HPGD
SCHEMBL28053292 0.65 ALDH1A1 (0.56) IRAK4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8813905 0.65 ALDH1A1 (0.56) IRAK4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL967996 0.65 ALDH1A1 (0.56) IRAK4KDM4EALDH1A1HPGDHSD17B10
Quinoline SCHEMBL28253711 0.64 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10CSNK1A1
Hydrochloric Acid SCHEMBL17475571 0.63 ALDH1A1 (0.54) IRAK4KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL10519600 0.61 ALDH1A1 (0.52) IRAK4KDM4EALDH1A1HPGDHSD17B10
Pyridine SCHEMBL29168838 0.61 CDC7 (0.45) KDM4EALDH1A1HPGDHSD17B10CDC7

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 15 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
US-20050009824-A1 Solubilized topoisomerase poisons RUTGERS, STATE UNIVERSITY OF NEW JERSEY, THE 2005-01-13 US 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 NCF1 2138/4885NUDT1 1576/4885OPRL1 4496/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B NCF1 2138/4885NUDT1 1576/4885OPRL1 4496/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 NCF1 2876/4885NUDT1 793/4885OPRL1 1727/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B NCF1 2138/4885NUDT1 1576/4885OPRL1 4496/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B NCF1 2138/4885NUDT1 1576/4885OPRL1 4496/4885

“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.