SCHEMBL6243302

SCHEMBL6243302

COC(=O)c1ccc(Cn2c(=O)c3cc(I)ccc3n(C)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 5/20 0.52
HDAC1 Q13547 2/20 0.51
MMP13 P45452 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
TP53 P04637 2/20 0.46
MAPK8 P45983 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
P2RX3 P56373 2/20 0.43
BRD4 O60885 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL6392346 0.88 MMP13 (0.48) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL7105028 0.88 MMP13 (0.59) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL6247398 0.87 MMP13 (0.64) PARGHDAC1MMP13SLC22A8MAPK8
SCHEMBL27588029 0.85 PARG (0.52) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL7103213 0.84 PARG (0.52) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL27588034 0.84 PARG (0.52) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL7634243 0.84 TP53 (0.57) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL27588009 0.84 PARG (0.54) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL27588021 0.84 PARG (0.54) PARGHDAC1MMP13SLC22A8TP53
SCHEMBL6245488 0.84 MMP13 (0.60) PARGHDAC1MMP13SLC22A8TP53

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
US-6962922-B2 Alkynylated quinazoline compounds WARNER-LAMBERT COMPANY LLC (US) 2005-11-08 US disclosed
US-20050245548-A1 Alkynylated fused ring pyrimidine compounds GAUDILLIERE BERNARD 2005-11-03 US disclosed
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 US disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 WO disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030130278-A1 Alkynylated fused ring pyrimidine compounds GAUDILLIERE BERNARD (FR) 2003-07-10 US disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 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 (5 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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 PARG 4062/4885HDAC1 153/4885MMP13 1/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 PARG 4866/4885HDAC1 370/4885MMP13 1/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 PARG 4840/4885HDAC1 205/4885MMP13 1/4885
US-20030130278-A1 Alkynylated fused ring pyrimidine compounds MMP13, TIMP3, MMP3 PARG 4006/4885HDAC1 1073/4885MMP13 1/4885
US-20050245548-A1 Alkynylated fused ring pyrimidine compounds MMP13, TIMP3, MMP3 PARG 4518/4885HDAC1 862/4885MMP13 1/4885

“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.