SCHEMBL6094532

SCHEMBL6094532

Cc1cccc2[nH]cc(C3=C(Cl)C(=O)C=C(Cl)C3=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
GPR84 Q9NQS5 2/20 0.40
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
CDC25B P30305 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PRKCB P05771 4/20 0.32
NR4A2 P43354 1/20 0.32
SIRT2 Q8IXJ6 2/20 0.31
PARP1 P09874 2/20 0.31
SIRT1 Q96EB6 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
PRKCA P17252 3/20 0.31
PRKCH P24723 3/20 0.31
PRKCQ Q04759 3/20 0.31
PRKCD Q05655 3/20 0.31
PRKCE Q02156 2/20 0.31

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
SCHEMBL6096903 0.86 GPR84 (0.42) GPR84PTPRCPTPRFPTPN1CDC25B
SCHEMBL6096170 0.84 CYP2A6 (0.41) GPR84PTPRCPTPRFPTPN1CDC25B
SCHEMBL6097076 0.84 GPR84 (0.40) HTR2AGPR84PTPRCPTPRFPTPN1
SCHEMBL6094641 0.84 HTR2A (0.44) HTR2AAURKAAURKBNR4A2ABL1
SCHEMBL6097207 0.79 AR (0.44) HTR2APRKCBNR4A2PRKCAPRKCH
SCHEMBL6097734 0.78 PRKCB (0.54) PTPRCPTPRFPTPN1CDC25BPRKCB
SCHEMBL6097121 0.74 HTR2A (0.40) HTR2AGPR84PTPRCPTPRFPTPN1
SCHEMBL6098483 0.74 MEN1 (0.40) HTR2APTPN1PRKCBNR4A2SIRT2
SCHEMBL6094987 0.74 MEN1 (0.41) HTR2APRKCBNR4A2ATP4AATP4B
SCHEMBL6094232 0.72 AR (0.34) HTR2APRKCBPRKCAPRKCHPRKCQ

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057052-B2 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY (US) 2006-06-06 US disclosed
WO-2004050014-A2 SETEROCYCLIC QUINONES AS PHARMACEUTICAL AGENTS DUKE UNIVERSITY (US) 2004-06-17 WO disclosed
US-20040063774-A1 Heterocyclic quinones as pharmaceutical agents DUKE UNIVERSITY 2004-04-01 US 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-20040063774-A1 Heterocyclic quinones as pharmaceutical agents NQO1, RECQL, SDHA HTR2A 1843/4885GPR84 4654/4885PTPRC 2035/4885

“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.