SCHEMBL6532963

SCHEMBL6532963

O=C(OCc1ccccc1)c1ccc2c(c1)c(=O)n(Cc1ccncc1)c(=O)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.56
HDAC1 Q13547 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
TDP1 Q9NUW8 3/20 0.46
MELK Q14680 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43

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
SCHEMBL6241901 0.91 CNR2 (0.56) CNR2HDAC1HDAC6TDP1HDAC3
SCHEMBL6244271 0.84 MMP13 (0.58) CNR2HDAC1HDAC6HDAC11HDAC8
SCHEMBL6211185 0.84 CNR2 (0.49) CNR2HDAC1HDAC6TDP1ALDH1A1
SCHEMBL6242637 0.82 ALDH1A1 (0.50) CNR2HDAC1TDP1ALDH1A1LMNA
SCHEMBL7623093 0.79 MMP13 (0.55) HDAC1HDAC6HDAC11HDAC8ALDH1A1
SCHEMBL7100082 0.78 HDAC6 (0.48) HDAC1HDAC6HDAC11HDAC8TDP1
SCHEMBL6212638 0.78 TDP1 (0.45) CNR2HDAC1HDAC6TDP1ALDH1A1
SCHEMBL7104309 0.77 GAA (0.45) HDAC1HDAC6HDAC11HDAC8TDP1
SCHEMBL6510483 0.77 TDP1 (0.44) CNR2HDAC1HDAC6TDP1ALDH1A1
SCHEMBL7098165 0.76 HDAC1 (0.47) HDAC1HDAC6HDAC11HDAC8ALDH1A1

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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 CNR2 265/4885HDAC1 550/4885HDAC6 1302/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 CNR2 2645/4885HDAC1 370/4885HDAC6 1898/4885

“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.