SCHEMBL241594

SCHEMBL241594

O=C(O)c1cnc2cc3c(cc2c1O)OCO3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
HPGD P15428 6/20 0.48
LMNA P02545 5/20 0.48
HTT P42858 5/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MAPT P10636 1/20 0.48
TP53 P04637 4/20 0.42
CYP1A2 P05177 2/20 0.42
HIF1A Q16665 1/20 0.42
CTNNB1 P35222 1/20 0.42
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2D6 P10635 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39

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
Hydrochloric Acid SCHEMBL6084714 0.98 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL11711177 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL8089093 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL5929756 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL242405 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL11791126 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL13163277 0.77 LMNA (0.49) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL13993574 0.76 EGFR (0.41) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL13163272 0.75 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2HPGDLMNAHTT
SCHEMBL14221464 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDLMNAHTT

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 31 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-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
EP-1465625-A2 SOLUBILIZED TOPOISOMERASE POISONS Rutgers, The State University (US) 2004-10-13 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
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
US-5668162-A Isothiazolones lower plasma levels of lipoprotein(a) WARNER-LAMBERT COMPANY 1997-09-16 US disclosed
US-4439436-A BACTERICIDES STERLING DRUG INC. (US) 1984-03-27 US disclosed
US-3936461-A Substituted 4-benzylquinolines WARNER-LAMBERT COMPANY (US) 1976-02-03 US disclosed
US-3931192-A Process for piperidine intermediates for quinine, quinidine and analogs thereof HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US disclosed
US-3931193-A ANTIMALARIA, ANTIARRHYTHMIA INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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 115/4885SMN1; SMN2 2209/4885HPGD 918/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B ALDH1A1 3459/4885SMN1; SMN2 1565/4885HPGD 2265/4885

“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.