SCHEMBL7100082

SCHEMBL7100082

NC(=O)n1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccc(Cl)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC8 Q9BY41 3/20 0.44
MMP13 P45452 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
PTGS2 P35354 1/20 0.42
HDAC11 Q96DB2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7104309 0.91 GAA (0.45) HDAC6HDAC1HDAC8MMP13SLC22A8
SCHEMBL7098165 0.90 HDAC1 (0.47) HDAC6HDAC1HDAC8PTGS2HDAC11
SCHEMBL6244271 0.81 MMP13 (0.58) HDAC6HDAC1HDAC8MMP13SLC22A8
SCHEMBL6532963 0.78 CNR2 (0.56) HDAC6HDAC1HDAC8HDAC11TDP1
SCHEMBL7623093 0.78 MMP13 (0.55) HDAC6HDAC1HDAC8MMP13SLC22A8
SCHEMBL6241901 0.76 CNR2 (0.56) HDAC6HDAC1MMP13SLC22A8TDP1
SCHEMBL6212638 0.74 TDP1 (0.45) HDAC6HDAC1MMP13SLC22A8TDP1
SCHEMBL7035477 0.74 MMP13 (0.51) MMP13TDP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7034915 0.74 MMP13 (0.51) HDAC6HDAC1HDAC8MMP13HDAC11
SCHEMBL6258325 0.72 ALDH1A1 (0.56) HDAC1TDP1SMN1; SMN2ALDH1A1NPC1

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 3 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

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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 HDAC6 1302/4885HDAC1 550/4885HDAC8 1368/4885

“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.