SCHEMBL7116752

SCHEMBL7116752

CC(C)c1c(OC#CC2CC2)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.40
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHEK1 O14757 1/20 0.36
CSF1R P07333 5/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
PTGS2 P35354 2/20 0.36
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
C5 P01031 1/20 0.36

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
SCHEMBL7114083 0.86 KDM4E (0.36) HPGDKDM4EGAAALDH1A1MEN1
SCHEMBL7120967 0.81 SIRT1 (0.42) SIRT1LMNAHPGDKDM4EALDH1A1
SCHEMBL7114050 0.78 PDE9A (0.44) SIRT1LMNAHPGDKDM4ECYP1A2
SCHEMBL7121233 0.75 SIRT1 (0.42) SIRT1LMNAALDH1A1CSF1RMEN1
SCHEMBL7549488 0.72 TNKS (0.32) PARP1
SCHEMBL7122454 0.71 GRIN2D (0.58) SIRT1LMNAHPGDKDM4ECYP1A2
SCHEMBL7114324 0.70 MPO (0.37) HPGDKDM4EGAAALDH1A1MEN1
SCHEMBL7121433 0.70 CSF1R (0.39) SIRT1LMNAHPGDCYP1A2GAA
SCHEMBL7121250 0.68 TSHR (0.41) HPGDKDM4EALDH1A1MEN1MAPT
SCHEMBL13390923 0.67 CSF1R (0.65) KDM4EALDH1A1CSF1RMAPTROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US claimed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP claimed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO claimed
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 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-20030069271-A1 Quinolone compounds for use in treating viral infections IRF3, MAVS, NQO2 SIRT1 722/4885LMNA 3043/4885HPGD 702/4885

“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.