SCHEMBL3796366

SCHEMBL3796366

NNC(=O)CNC(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.56
MMP3 P08254 1/20 0.56
PLK1 P53350 1/20 0.54
HPGD P15428 2/20 0.54
HDAC2 Q92769 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
OGG1 O15527 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PREP P48147 3/20 0.48
FAP Q12884 2/20 0.48

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
SCHEMBL145153 0.85 HDAC8 (0.69) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL7771334 0.84 HDAC8 (0.59) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL2230132 0.82 HDAC8 (0.61) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL7771330 0.81 HDAC8 (0.59) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL18457431 0.81 HDAC8 (0.59) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL18457265 0.81 PLK1 (0.62) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL15906173 0.81 HDAC8 (0.51) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL15741895 0.80 KMT2A (0.51) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL29370451 0.80 KMT2A (0.51) HDAC8MMP3PLK1HPGDHDAC2
SCHEMBL9830463 0.80 PPARG (0.58) HDAC8MMP3PLK1HPGDHDAC2

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-8791299-B2 Compounds for the inhibition of herpes viruses UNIVERSITE LAVAL (CA) 2014-07-29 US disclosed
US-8791299-B2 Compounds for the inhibition of herpes viruses UNIVERSITE LAVAL (CA) 2014-07-29 US disclosed
US-20120157538-A1 Compounds for the Inhibition of Herpes Viruses UNIVERSITE LAVAL (CA) 2012-06-21 US disclosed
US-20120157538-A1 Compounds for the Inhibition of Herpes Viruses UNIVERSITE LAVAL (CA) 2012-06-21 US disclosed
WO-2010132992-A1 COMPOUNDS FOR THE INHIBITION OF HERPESVIRUSES UNIVERSITé LAVAL (CA) 2010-11-25 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-20120157538-A1 Compounds for the Inhibition of Herpes Viruses NOS3, NOS1, DNA2 HDAC8 122/4885MMP3 1442/4885PLK1 121/4885

“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.