SCHEMBL6236908

SCHEMBL6236908

O=C1C=C(c2ccc(Br)cc2)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 7/20 1.00
PTPN1 P18031 11/20 0.76
PTPRF P10586 2/20 0.75
CDC25B P30305 2/20 0.75
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
BACE1 P56817 2/20 0.53

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
SCHEMBL6236312 0.86 PTPN1 (1.00) PTPRCPTPN1PTPRFCDC25BBACE1
SCHEMBL29808966 0.86 PTPN1 (1.00) PTPRCPTPN1PTPRFCDC25BBACE1
SCHEMBL25834756 0.85 BACE1 (0.75) PTPRCPTPN1PTPRFCDC25BCES2
SCHEMBL8600693 0.81 PTPN1 (0.75) PTPRCPTPN1PTPRFCDC25BBACE1
Dimethylamine SCHEMBL7487471 0.79 PTPN1 (0.85) PTPRCPTPN1PTPRFCDC25BBACE1
SCHEMBL7487467 0.79 PTPN1 (0.67) PTPRCPTPN1PTPRFCDC25BCES2
SCHEMBL4192820 0.75 PTPN1 (0.61) PTPRCPTPN1PTPRFCDC25BCES2
SCHEMBL7480750 0.75 PTPN1 (0.61) PTPRCPTPN1PTPRFCDC25BBACE1
SCHEMBL6232732 0.74 PTPRC (1.00) PTPRCPTPN1PTPRFCDC25BBACE1
Diethylamine SCHEMBL7475236 0.74 PTPN1 (0.74) PTPRCPTPN1PTPRFCDC25BBACE1

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 12 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
WO-2017070194-A1 METHOD TO INHIBIT ENDOTHELIAL-TO-MESENCHYMAL TRANSITION THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-04-27 WO disclosed
US-6939896-B2 Naphthalenedione derivatives; treating autoimmune diseases and organ graft rejection ASTRAZENECA AB (SE) 2005-09-06 US disclosed
EP-1259231-B1 NAPHTHOQUINONE DERIVATIVES AS CD45 INHIBITORS ASTRAZENECA AB (SE) 2005-05-25 EP 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
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 (1 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-20030119897-A1 Cd45 inhibitors PTPRC, CD2, HLA-C PTPRC 1/4885PTPN1 18/4885PTPRF 27/4885

“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.