SCHEMBL51583

SCHEMBL51583

O=C1N=Nc2c3ccccc3cc3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CASP1 P29466 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAOA P21397 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ AHR P35869 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL12280879 0.75 CYP1A2 (0.46) CES1ALDH1A1HPGDCASP1HSD17B10
SCHEMBL30295512 0.75 CYP1A2 (0.46) CES1ALDH1A1HPGDCASP1HSD17B10
SCHEMBL8746257 0.73 CES1 (0.63) CES1ALDH1A1HPGDCASP1HSD17B10
SCHEMBL8134807 0.67 GSTP1 (0.43) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL2156357 0.67 CES1 (1.00) CES1ALDH1A1HPGDCASP1HSD17B10
SCHEMBL579274 0.67 CES1 (1.00) CES1ALDH1A1HPGDCASP1HSD17B10
SCHEMBL4099492 0.66 ALDH1A1 (0.56) CES1ALDH1A1HPGDCASP1HSD17B10
SCHEMBL29714477 0.66 MEN1 (0.50) CES1ALDH1A1HPGDCASP1MAOA
SCHEMBL112133 0.66 MEN1 (0.50) CES1ALDH1A1HPGDCASP1MAOA
SCHEMBL31619723 0.66 CES1 (0.72) CES1ALDH1A1HPGDCASP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 — — WO claimed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 — — US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 — — US disclosed
EP-2804602-B1 USE OF SUBSTITUTED HEXITOLS INCLUDING DIANHYDROGALACTITOL AND ANALOGS TO TREAT NEOPLASTIC DISEASE AND CANCER STEM CELLS INCLUDING GLIOBLASTOMA MULTFORME AND MEDULLOBLASTOMA DEL MAR PHARMACEUTICALS (CA) 2024-12-04 — — EP disclosed
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 — — EP disclosed
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
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 — — US disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 — — WO disclosed
CN-115813902-A Use of substituted hexitols for the treatment of malignant tumors 德玛公司 2023-03-21 — — CN disclosed
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, INC. (US) 2008-03-06 — — US disclosed
EP-1841771-A2 DIAZABENZOÝDE¨ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP MGI GP, Inc. (US) 2007-10-10 — — EP disclosed
EP-1841771-A2 DIAZABENZOÝDE¨ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP MGI GP, Inc. (US) 2007-10-10 — — EP disclosed
US-7268138-B2 Compounds, methods and pharmaceutical compositions for inhibiting PARP MGI GP, INC. (US) 2007-09-11 — — US disclosed
WO-2006078711-A3 DIAZABENZO[DE]ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP MGI GP INC (US) 2006-09-21 — — WO disclosed
WO-2006078711-A2 DIAZABENZO[DE]ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP MGI GP, INC. (US) 2006-07-27 — — WO disclosed
WO-2006078711-A2 DIAZABENZO[DE]ANTHRACEN-3-ONE COMPOUNDS AND METHODS FOR INHIBITING PARP MGI GP, INC. (US) 2006-07-27 — — WO disclosed
EP-1633362-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP MGI GP, Inc. (US) 2006-03-15 — — EP disclosed
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP EISAI INC. 2005-01-27 — — US disclosed
WO-2004105700-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP GUILDFORD PHARMACEUTICALS, INC. (US) 2004-12-09 — — 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 (6 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CES1 1122/4885ALDH1A1 379/4885HPGD 958/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CES1 1122/4885ALDH1A1 379/4885HPGD 958/4885
US-20080058325-A1 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP PARP1, PARP2, PARP3 CES1 1817/4885ALDH1A1 865/4885HPGD 291/4885
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 CES1 686/4885ALDH1A1 3441/4885HPGD 672/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CES1 1122/4885ALDH1A1 379/4885HPGD 958/4885
US-20050020595-A1 Compounds, methods and pharmaceutical compositions for inhibiting PARP PARP1, PARP2, PARP3 CES1 1895/4885ALDH1A1 882/4885HPGD 326/4885

“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.

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