SCHEMBL3677552

SCHEMBL3677552

COc1c(Br)c(CBr)c(OC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA2 P00918 5/20 0.41
CA4 P22748 5/20 0.41
CA1 P00915 3/20 0.41
CA6 P23280 3/20 0.41
SLC2A1 P11166 1/20 0.39
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35

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
SCHEMBL20123248 0.87 KDM4E (0.47) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL13079429 0.83 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL3739184 0.83 CA2 (0.55) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL21906404 0.81 KDM4E (0.70) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL29850315 0.81 KDM4E (0.70) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL9736640 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2SLC2A1
SCHEMBL20680057 0.77 KDM4E (0.64) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL8026149 0.75 KDM4E (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL20123253 0.75 CA2 (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CA2
SCHEMBL7974365 0.74 CA2 (0.56) CA2CA4CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
EP-2203161-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Indiana University Research and Technology Corporation (US) 2010-07-07 EP disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 KDM4E 2642/4885ALDH1A1 210/4885MAPK1 2142/4885

“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.