SCHEMBL241722

SCHEMBL241722

COc1cc2c(=O)n(C(C)CN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.46
MPO P05164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE10A Q9Y233 4/20 0.36
PDE5A O76074 2/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL13996247 0.91 TDP1 (0.40) TDP1MPOALDH1A1MEN1KMT2A
SCHEMBL242732 0.85 TDP1 (0.47) TDP1MPOALDH1A1MEN1KMT2A
SCHEMBL240616 0.83 TDP1 (0.64) TDP1PDE5A
SCHEMBL13993589 0.83 TDP1 (0.47) TDP1MPOALDH1A1MEN1KMT2A
SCHEMBL29911473 0.83 TDP1 (0.64) TDP1PDE5A
SCHEMBL4984487 0.83 TDP1 (0.44) TDP1MPOALDH1A1MEN1KMT2A
SCHEMBL16501190 0.82 TDP1 (0.46) TDP1MPOALDH1A1MEN1KMT2A
SCHEMBL4981984 0.78 TDP1 (0.48) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL243528 0.78 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2APDE5A
SCHEMBL3266978 0.77 TDP1 (0.39) TDP1MPOALDH1A1MEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015875-A1 METHODS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2012-02-02 WO claimed
US-20120004235-A1 METHODS TO TREAT CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-05 US claimed
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 claimed
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 US claimed
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
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
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 TDP1 4/4885MPO 3074/4885ALDH1A1 3459/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885MPO 3074/4885ALDH1A1 3459/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 TDP1 2248/4885MPO 1437/4885ALDH1A1 115/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885MPO 3074/4885ALDH1A1 3459/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B TDP1 4/4885MPO 3074/4885ALDH1A1 3459/4885

“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.