SCHEMBL8067730

SCHEMBL8067730

Cc1cc2ccc(C(C)Cl)cc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
EIF4A3 P38919 2/20 0.42
DAO P14920 4/20 0.41
DDO Q99489 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 3/20 0.40
ATAD2 Q6PL18 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8076561 0.88 BRD4 (0.50) BRD4EIF4A3DAODDOALDH1A1
SCHEMBL12589464 0.87 BRD4 (0.56) BRD4EIF4A3DAODDOALDH1A1
SCHEMBL8077686 0.84 BRD4 (0.53) BRD4EIF4A3DAODDOALDH1A1
SCHEMBL8071185 0.81 ALDH1A1 (0.48) EIF4A3DAOALDH1A1HIF1AGRIN2D
SCHEMBL8072522 0.81 BRD4 (0.43) BRD4DAODDOALDH1A1HIF1A
SCHEMBL30644632 0.78 CA12 (0.46) EIF4A3MEN1KMT2A
SCHEMBL8064661 0.77 BRD4 (0.45) BRD4EIF4A3DAODDOALDH1A1
SCHEMBL4388117 0.76 DAO (0.64) BRD4DAODDOALDH1A1GRIN2D
SCHEMBL8072954 0.76 BRD4 (0.44) BRD4EIF4A3ALDH1A1HIF1AKDM4E
SCHEMBL15478601 0.75 DAO (0.68) BRD4DAODDOALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-8404713-B2 Quinolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-03-26 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
US-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-09-02 US disclosed
WO-2009053373-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-30 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-20100222348-A1 QUINOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 BRD4 211/4885EIF4A3 1803/4885DAO 3543/4885

“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.