SCHEMBL6466889

SCHEMBL6466889

COc1ccc(Cn2c(=O)c3ccccc3n(C)c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.64
ALDH1A1 P00352 4/20 0.59
HDAC1 Q13547 3/20 0.58
BLM P54132 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 3/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 2/20 0.55
RECQL P46063 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL17241737 0.89 MAPT (0.63) P2RX4ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL6266030 0.89 P2RX4 (0.72) P2RX4HDAC1SMN1; SMN2HDAC11HDAC8
SCHEMBL19555085 0.86 MAPK8 (0.66) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL17241596 0.85 TSHR (0.62) P2RX4ALDH1A1HDAC1SMN1; SMN2TDP1
SCHEMBL6509732 0.85 MEN1 (0.60) HDAC1MEN1KMT2AMAPT
SCHEMBL7652274 0.84 P2RX4 (0.61) P2RX4ALDH1A1HDAC1BLMSMN1; SMN2
SCHEMBL12963694 0.83 HDAC1 (0.67) P2RX4ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL10085642 0.83 TP53 (0.51) ALDH1A1TDP1POLBLMNAKDM4E
SCHEMBL17241700 0.83 HDAC1 (0.60) P2RX4ALDH1A1HDAC1HDAC11HDAC8
SCHEMBL7653389 0.83 P2RX4 (0.60) P2RX4ALDH1A1HDAC1BLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US claimed
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 WO disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 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 (2 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 P2RX4 4552/4885ALDH1A1 4241/4885HDAC1 370/4885
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 P2RX4 158/4885ALDH1A1 819/4885HDAC1 1565/4885

“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.