SCHEMBL242405

SCHEMBL242405

CCOC(=O)c1cnc2cc3c(cc2c1O)OCO3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
LMNA P02545 8/20 0.50
NPSR1 Q6W5P4 6/20 0.50
HTT P42858 5/20 0.50
HPGD P15428 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 6/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.44
CLK1 P49759 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 3/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL20799490 0.89 LMNA (0.60) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL5929729 0.86 ALDH1A1 (0.52) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL11792492 0.86 ALDH1A1 (0.49) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL11850253 0.82 MAPT (0.40) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL11711177 0.81 ALDH1A1 (0.50) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL241594 0.80 ALDH1A1 (0.48) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL1467061 0.79 MEN1 (0.62) ALDH1A1NPSR1MAPTMAPK1MEN1
SCHEMBL5929721 0.79 LMNA (0.53) ALDH1A1LMNANPSR1HTTHPGD
Hydrochloric Acid SCHEMBL6084714 0.79 ALDH1A1 (0.47) ALDH1A1LMNANPSR1HTTHPGD
SCHEMBL15054272 0.79 MAPK1 (0.45) ALDH1A1LMNANPSR1HPGDSMN1; SMN2

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 33 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
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
EP-1453812-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2004-09-08 EP disclosed
WO-2003041653-A2 CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 WO disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed
US-4439436-A BACTERICIDES STERLING DRUG INC. (US) 1984-03-27 US disclosed
EP-0101951-A1 1,3-Dioxolo(4,5-g)quinolines and preparation thereof STERLING DRUG INC. (US) 1984-03-07 EP disclosed
US-4260616-A FUNGICIDES, BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1981-04-07 US disclosed
US-4234589-A FUNGICIDES; BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1980-11-18 US disclosed
US-4079058-A Process of performing cyclization reactions using benzyl or pyridylamino malonic acid derivatives DYNAMIT NOBEL AG (DT) 1978-03-14 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 (2 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-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 ALDH1A1 115/4885LMNA 1475/4885NPSR1 732/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B ALDH1A1 3459/4885LMNA 128/4885NPSR1 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.