SCHEMBL6697167

SCHEMBL6697167

COc1cccc(CNC(=O)c2ccc3ccn(Cc4ccc(S(C)(=O)=O)cc4)c(=O)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.58
LMNA P02545 3/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
KLKB1 P03952 1/20 0.49
ROCK2 O75116 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 1/20 0.47
APOBEC3A P31941 1/20 0.47
KMT2A Q03164 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6703278 0.91 MMP13 (0.60) MMP13LMNATP53POLBMAPT
SCHEMBL6701195 0.86 MMP13 (0.58) MMP13LMNATP53POLBALDH1A1
SCHEMBL6697454 0.85 RORC (0.51) MMP13LMNATP53POLBALDH1A1
SCHEMBL6704305 0.83 MMP13 (0.56) MMP13LMNATP53POLBMAPT
SCHEMBL6167636 0.82 TP53 (0.51) MMP13LMNATP53POLBALDH1A1
SCHEMBL2611251 0.81 HDAC8 (0.58) MMP13LMNATP53POLBMAPT
SCHEMBL6701010 0.81 CA1 (0.46) LMNAPOLBALDH1A1KDM4ENPC1
SCHEMBL2115805 0.81 HDAC6 (0.52)
SCHEMBL6699591 0.80 KDM4E (0.54) MMP13LMNATP53POLBMAPT
SCHEMBL6167921 0.77 CA1 (0.41) MMP13LMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 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 (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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 MMP13 2/4885LMNA 1815/4885TP53 3722/4885

“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.