SCHEMBL4453581

SCHEMBL4453581

CCCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 18/20 0.90
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 3/20 0.68
GLA P06280 3/20 0.68
KDM4E B2RXH2 2/20 0.68
TP53 P04637 2/20 0.68
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
STAT6 P42226 1/20 0.68
CHEK1 O14757 1/20 0.68
HDAC3 O15379 1/20 0.68
ABCC4 O15439 1/20 0.68
GMNN O75496 1/20 0.68
LMNA P02545 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
HNRNPA1 P09651 1/20 0.68
GAA P10253 1/20 0.68
ALOX15 P16050 1/20 0.68

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
SCHEMBL1728533 0.95 TOP1 (1.00) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL27606708 0.94 TOP1 (0.86) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL11070279 0.94 TOP1 (0.86) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL15725385 0.93 TOP1 (0.82) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL4557415 0.93 TOP1 (0.94) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL4455085 0.93 TOP1 (0.94) TOP1MEN1KMT2AALDH1A1GLA
Cositecan SCHEMBL29378211 0.93 TOP1 (0.85) TOP1MEN1KMT2AALDH1A1GLA
Cositecan SCHEMBL2315201 0.93 TOP1 (0.85) TOP1MEN1KMT2AALDH1A1GLA
Cositecan SCHEMBL15692672 0.93 TOP1 (0.85) TOP1MEN1KMT2AALDH1A1GLA
SCHEMBL26976807 0.93 TOP1 (0.86) TOP1MEN1KMT2AALDH1A1GLA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 WO claimed
US-6653319-B1 Formulating alkaline supersaturated aqueous solution of lipophilic derivative and solubilizer; acidifying UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2003-11-25 US claimed
EP-0137145-B1 NEW CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1988-04-27 EP claimed
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 US disclosed
EP-4297746-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED COMPOUNDS AND THERAPIES FOR THE TREATMENT OF DISEASES Edison Oncology (US) 2024-01-03 EP disclosed
EP-2920191-B1 METHODS FOR THE TOTAL CHEMICAL SYNTHESIS OF ENANTIOMERICALLY-PURE 7-(2'-TRIMETHYLSILYL) ETHYL CAMPTOTHECIN BIONUMERIK PHARMACEUTICALS INC (US) 2017-07-19 EP disclosed
EP-1883407-A4 COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS COMBINATORX INC (US) 2009-07-01 EP disclosed
EP-1883407-A1 COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS CombinatoRx, Incorporated (US) 2008-02-06 EP disclosed
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 WO disclosed
US-20060264384-A1 Compositions and methods for treatment for neoplasms COMBINATORX, INC. 2006-11-23 US disclosed
WO-2006122007-A1 COMPOSITIONS AND METHODS FOR TREATMENT FOR NEOPLASMS COMBINATORX, INCORPORATED (US) 2006-11-16 WO disclosed
US-6136978-A CYCLIZING SILYL COMPOUND WITH ARYL ISONITRILE COMPOUND TO FORM SILYL CAMPTOTHECIN DERIVATIVE UNIVERSITY OF PITTSBURGH (US) 2000-10-24 US disclosed
US-RE32518-E Camptothecin derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1987-10-13 US disclosed
EP-0074256-B1 CAMPTOTHECIN DERIVATIVES, PROCESSES FOR PREPARING SAME, FORMULATIONS CONTAINING SUCH DERIVATIVES AND THEIR USE KABUSHIKI KAISHA YAKULT HONSHA (JP) 1986-11-20 EP disclosed
US-4545880-A Photochemical process for preparing camptothecin derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1985-10-08 US disclosed
US-4513138-A Camptothecin-1-oxide derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1985-04-23 US disclosed
US-4473692-A Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1984-09-25 US disclosed
US-4399282-A 7-HYDROXYALKYL DERIVATIVES USING FREE RADICAL CATALYSTS; ANTITUMOR AND -CARCINOGENIC AGENTS; NONTOXIC KABUSHIKI KAISHA YAKULT HONSHA (JP) 1983-08-16 US disclosed
EP-0074770-A1 Camptothecin-1-oxide derivatives, process for preparing same, formulations comprising said derivatives and said derivatives for use in producing an anti-tumour effect KABUSHIKI KAISHA YAKULT HONSHA (JP) 1983-03-23 EP disclosed
EP-0074256-A1 Camptothecin derivatives, processes for preparing same, formulations containing such derivatives and their use KABUSHIKI KAISHA YAKULT HONSHA (JP) 1983-03-16 EP 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-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 TOP1 3/4885MEN1 601/4885KMT2A 1727/4885
US-20060264384-A1 Compositions and methods for treatment for neoplasms MGMT, TP53, HCCS TOP1 201/4885MEN1 71/4885KMT2A 1617/4885

“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.