SCHEMBL5886259

SCHEMBL5886259

COC(=O)c1cccc2c1C=CC(=O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 1.00
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MITF O75030 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
PTK2B Q14289 1/20 0.43
NCOA1 Q15788 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
SLC6A3 Q01959 5/20 0.43
SLC6A4 P31645 3/20 0.43
PDK2 Q15119 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL23529900 0.75 PTPRC (0.60) PTPRCTSHRMAPTLMNAMITF
SCHEMBL69292 0.74 MAPT (0.61) PTPRCTSHRMAPTLMNAMITF
SCHEMBL5886287 0.73 TOP1 (0.58) PTPRCMAPTLMNAMITFMEN1
SCHEMBL6760793 0.73 MAPT (0.59) PTPRCTSHRMAPTLMNAMITF
SCHEMBL8075760 0.73 PTPRC (0.57) PTPRCTSHRMAPTLMNAMITF
SCHEMBL11419634 0.72 PTPRC (0.56) PTPRCMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL70284 0.71 MAPT (0.67) PTPRCTSHRMAPTLMNAMITF
SCHEMBL70816 0.71 TSHR (0.62) PTPRCTSHRMAPTLMNAMITF
SCHEMBL3576571 0.71 CA1 (0.59) PTPRCTSHRMAPTLMNAMEN1
SCHEMBL27558184 0.71 PTPRC (0.55) PTPRCTSHRMAPTLMNAMEN1

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
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US claimed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP claimed
US-20030119897-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-06-26 US claimed
EP-1259231-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS AstraZeneca AB (SE) 2002-11-27 EP claimed
WO-2001045681-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO claimed
US-20180311356-A1 METHOD TO INHIBIT ENDOTHELIAL-TO-MESENCHYMAL TRANSITION THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-11-01 US disclosed
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US disclosed
US-20030119897-A1 Cd45 inhibitors ASTRAZENECA AB (SE) 2003-06-26 US disclosed
EP-1259231-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS AstraZeneca AB (SE) 2002-11-27 EP disclosed
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP disclosed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO disclosed
WO-2001045681-A2 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 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 (3 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A PTPRC 3881/4885TSHR 211/4885MAPT 3990/4885
US-20030119897-A1 Cd45 inhibitors PTPRC, CD2, HLA-C PTPRC 1/4885TSHR 3980/4885MAPT 4288/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B PTPRC 2451/4885TSHR 1728/4885MAPT 4710/4885

“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.