SCHEMBL5957717

SCHEMBL5957717

CCOC(COc1cc(=O)n(Cc2ccccc2)c(=O)[nH]1)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ PLCG1 P19174 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL6243233 0.69 KMT2A (0.55) ALDH1A1KDM4EHPGDCYP3A4KMT2A
SCHEMBL6536538 0.69 ALDH1A1 (0.47) ALDH1A1KDM4ECYP3A4KMT2AMAPT
SCHEMBL9414233 0.67 TLR7 (0.51) ALDH1A1KDM4EHPGDCYP3A4KMT2A
SCHEMBL319866 0.67 KMT2A (0.73) ALDH1A1KDM4EHPGDCYP3A4KMT2A
SCHEMBL13534958 0.66 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL5957383 0.66 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDCYP3A4KMT2A
SCHEMBL1944831 0.66 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDCYP3A4KMT2A
SCHEMBL14557584 0.65 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDCYP3A4KMT2A
SCHEMBL6247418 0.65 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDCYP3A4KMT2A
SCHEMBL1193076 0.65 LMNA (0.53) —

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
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 — — US disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 — — EP disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (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 (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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 ALDH1A1 1960/4885KDM4E 1506/4885HPGD 208/4885

“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.

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