SCHEMBL238581

SCHEMBL238581

NC(=O)c1ccccc1I.Nc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
PI4K2A Q9BTU6 1/20 0.42
AURKA O14965 2/20 0.41
RPS6KB1 P23443 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GPR52 Q9Y2T5 1/20 0.39
MAP4K2 Q12851 1/20 0.38
AURKB Q96GD4 1/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL242407 0.83 NPC1 (0.41) MAPK9MAPK10PI4K2AAURKARPS6KB1
SCHEMBL238580 0.83 NCF1 (0.33) MAPK9MAPK10PI4K2AAURKAAURKB
SCHEMBL243787 0.80 NR4A2 (0.47) PI4K2ALMNASMN1; SMN2MAPTHPGD
SCHEMBL5875891 0.71 GABRA1 (0.36) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL5875893 0.71 RAD52 (0.44) RAB9ALMNASMN1; SMN2MAPTMEN1
SCHEMBL2372041 0.71 KDM4E (0.50) PI4K2AAURKARPS6KB1NPC1RAB9A
SCHEMBL13163277 0.69 LMNA (0.49) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL967996 0.67 ALDH1A1 (0.56) NPC1RAB9AMAPTHPGDMEN1
SCHEMBL8813905 0.67 ALDH1A1 (0.56) NPC1RAB9AMAPTHPGDMEN1
SCHEMBL28053292 0.67 ALDH1A1 (0.56) NPC1RAB9AMAPTHPGDMEN1

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 MAPK9 3631/4885MAPK10 4194/4885PI4K2A 3607/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B MAPK9 3631/4885MAPK10 4194/4885PI4K2A 3607/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 MAPK9 4199/4885MAPK10 4483/4885PI4K2A 3991/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B MAPK9 3631/4885MAPK10 4194/4885PI4K2A 3607/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B MAPK9 3631/4885MAPK10 4194/4885PI4K2A 3607/4885

“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.