SCHEMBL6520748

SCHEMBL6520748

COc1ccc(CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.51
MMP13 P45452 2/20 0.50
STAMBP O95630 1/20 0.49
COPS5 Q92905 1/20 0.49
KDM1A O60341 2/20 0.48
HDAC1 Q13547 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGDS O60760 2/20 0.48
CYP2C9 P11712 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE2A O00408 1/20 0.46

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
SCHEMBL6253500 0.83 MAPT (0.56) HPGDKDM4EALDH1A1MAPTMMP13
SCHEMBL6510453 0.81 ALDH1A1 (0.54) HPGDKDM4EALDH1A1MAPTMMP13
SCHEMBL17434334 0.78 HPGD (0.57) HPGDKDM4EALDH1A1MAPTMEN1
SCHEMBL6518748 0.78 MMP13 (0.54) HPGDKDM4EALDH1A1MAPTMMP13
SCHEMBL6509576 0.78 MAPT (0.56) ALDH1A1MAPTMMP13MEN1KMT2A
SCHEMBL6464565 0.78 MMP13 (0.60) ALDH1A1MAPTMMP13KDM1AHDAC1
SCHEMBL7031009 0.76 MAPT (0.63) HPGDKDM4EALDH1A1MAPTHDAC1
SCHEMBL6258768 0.76 MMP13 (0.50) ALDH1A1MAPTMMP13STAMBPCOPS5
SCHEMBL5215056 0.73 KDM1A (0.72) HPGDALDH1A1MAPTMMP13STAMBP
SCHEMBL7101052 0.73 MMP13 (0.61) HPGDALDH1A1MAPTMMP13MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 228/4885KDM4E 1784/4885ALDH1A1 1357/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 HPGD 397/4885KDM4E 2484/4885ALDH1A1 4241/4885

“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.