SCHEMBL6096903

SCHEMBL6096903

O=C1C=C(Cl)C(=O)C(c2c[nH]c3cccc(Cl)c23)=C1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
NR4A2 P43354 1/20 0.39
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKCD Q05655 2/20 0.37
SLC6A4 P31645 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
PARP1 P09874 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IDO1 P14902 1/20 0.33
ERCC5 P28715 1/20 0.33

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
SCHEMBL6094532 0.86 HTR2A (0.40) GPR84NR4A2PRKCBPRKCAPRKCH
SCHEMBL6096170 0.86 CYP2A6 (0.41) GPR84SLC6A4AURKAAURKBPTPRC
SCHEMBL6097076 0.86 GPR84 (0.40) GPR84PRKCBPRKCAPRKCHPRKCQ
SCHEMBL6094641 0.83 HTR2A (0.44) NR4A2AURKAAURKBABL1CDK4
SCHEMBL6097734 0.80 PRKCB (0.54) PRKCBPRKCAPRKCHPRKCQPRKCD
SCHEMBL6097786 0.78 DYRK1A (0.43) NR4A2PRKCBPRKCAPRKCHPRKCQ
SCHEMBL6096750 0.76 GPR84 (0.40) GPR84NR4A2PRKCBPRKCAPRKCH
SCHEMBL28514148 0.72 PTPN1 (0.49) GPR84NR4A2PRKCBPRKCAPRKCH
SCHEMBL6094956 0.72 ALDH1A1 (0.43) GPR84NR4A2PRKCBPRKCAPRKCH
SCHEMBL6098311 0.72 F7 (0.43) GPR84NR4A2SLC6A4IDO1CAMK2D

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 GPR84 4654/4885NR4A2 3653/4885PRKCB 4438/4885

“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.