Sugi Predict

Sugi Predict / Compounds / SCHEMBL251636

SCHEMBL251636

SCHEMBL251636

COc1cc(I)c(C(=O)N(CCN2CCCC2)c2cnnc3cc4c(cc23)OCO4)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.38
▸ EPHX2 P34913 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLR1A O95602 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ F2R P25116 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL243661 0.87 EHMT2 (0.42) TDP1EHMT2EHMT1
SCHEMBL4983642 0.86 GABRA1 (0.40) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL241749 0.86 KMT2A (0.42) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL13993588 0.86 ALDH1A1 (0.33) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL13996173 0.81 ALDH1A1 (0.36) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL242365 0.81 HTR1A (0.38) PDE1APDE1BPDE1CEHMT2EHMT1
SCHEMBL13225711 0.78 HTR2C (0.41) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL240953 0.77 ALDH1A1 (0.33) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL13163263 0.77 HTR2C (0.41) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL241748 0.77 KMT2A (0.36) TDP1MEN1KMT2AALDH1A1LMNA

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 18 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
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 TDP1 4/4885EPHX2 2260/4885SIGMAR1 1855/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885EPHX2 2260/4885SIGMAR1 1855/4885
US-20120004235-A1 METHODS TO TREAT CANCER TP53, CCNY, ABCB1 TDP1 2248/4885EPHX2 337/4885SIGMAR1 1850/4885
US-20110136812-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B TDP1 4/4885EPHX2 2260/4885SIGMAR1 1855/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B TDP1 4/4885EPHX2 2260/4885SIGMAR1 1855/4885

“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.