SCHEMBL242223

SCHEMBL242223

Oc1cnnc2cc3c(cc12)OCO3

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
MPO P05164 4/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 6/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 3/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IGFBP3 P17936 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL6202697 0.79 SRC (0.40) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL241448 0.79 MPO (0.40) NPC1RAB9AMPOALDH1A1HPGD
SCHEMBL13163265 0.79 ALDH1A1 (0.41) NPC1RAB9AMEN1KMT2AMPO
SCHEMBL13163266 0.77 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL13993590 0.77 ALDH1A1 (0.38) NPC1RAB9AMEN1KMT2AMPO
SCHEMBL13163262 0.76 SMN1; SMN2 (0.40) NPC1RAB9AMEN1KMT2AMPO
SCHEMBL12861068 0.75 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL12861090 0.74 SRC (0.32)
SCHEMBL4989870 0.71 CYP3A4 (0.41) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL12559480 0.70 MEN1 (0.39) NPC1RAB9AMEN1KMT2ACYP3A4

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 42 patents — showing the first 20. 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
US-8389721-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-03-05 US disclosed
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
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-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 US 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
US-20080090831-A1 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-04-17 US disclosed
US-20080090831-A1 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-04-17 US disclosed
US-7319105-B2 Methylenedioxy-fused heterocycles, especially 8,10-dioxa-4,5,6,12-tetraaza-cyclopenta[b]chrysen-13-ones; 8,10-dioxa-1,4,5,6,12-pentaaza-cyclopenta[b]chrysen-13-ones; 8,10,12-trioxa-5,6-diaza-cyclopenta[b]chrysenes; and 8,10,12-trioxa-6-aza-cyclopenta[b]chrysenes; topoisomerase inhibitors; treating cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-01-15 US disclosed
US-7319105-B2 Methylenedioxy-fused heterocycles, especially 8,10-dioxa-4,5,6,12-tetraaza-cyclopenta[b]chrysen-13-ones; 8,10-dioxa-1,4,5,6,12-pentaaza-cyclopenta[b]chrysen-13-ones; 8,10,12-trioxa-5,6-diaza-cyclopenta[b]chrysenes; and 8,10,12-trioxa-6-aza-cyclopenta[b]chrysenes; topoisomerase inhibitors; treating cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-01-15 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 NPC1 2748/4885RAB9A 3163/4885MEN1 2154/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 NPC1 234/4885RAB9A 998/4885MEN1 288/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B NPC1 2748/4885RAB9A 3163/4885MEN1 2154/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B NPC1 2748/4885RAB9A 3163/4885MEN1 2154/4885
US-20080090831-A1 CYTOTOXIC AGENTS TOP1, TOP2A, TOP2B NPC1 715/4885RAB9A 3543/4885MEN1 1748/4885

“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.