SCHEMBL6094987

SCHEMBL6094987

Cc1ccc2[nH]cc(C3=C(Cl)C(=O)C=C(Cl)C3=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A4 P31645 2/20 0.40
POLB P06746 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
NR4A2 P43354 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
PDGFRB P09619 1/20 0.37
IDO1 P14902 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL6098483 0.90 MEN1 (0.40) MEN1KMT2APOLBDUSP3PTPN5
SCHEMBL6098311 0.86 F7 (0.43) MEN1KMT2ASLC6A4POLBDUSP3
SCHEMBL6095976 0.84 TSHR (0.39) MEN1KMT2ALMNAKDM4EHSD17B10
SCHEMBL6096429 0.84 IGF1R (0.44) KDM4ESLC6A4HTR1AHTR7ATP4A
SCHEMBL6098129 0.84 EGFR (0.44) SLC6A4HTR1AHTR7NR4A2ATP4A
SCHEMBL6094431 0.84 KDR (0.50) MEN1KMT2ALMNAKDM4EHSD17B10
SCHEMBL6097734 0.81 PRKCB (0.54) MEN1KMT2APDGFRBHTTPRKCB
SCHEMBL6094956 0.78 ALDH1A1 (0.43) SLC6A4NR4A2IDO1PRKCBTP53
SCHEMBL6099166 0.78 CDK4 (0.39) KDM4EPDGFRBMAPTSMN1; SMN2
SCHEMBL6094623 0.76 IMPDH2 (0.45) IDO1

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 MEN1 726/4885KMT2A 2003/4885LMNA 1779/4885

“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.