SCHEMBL3966478

SCHEMBL3966478

COc1ccccc1Oc1ccc([NH])cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.79
ALDH1A1 P00352 4/20 0.79
MAPK1 P28482 1/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.47
MTNR1B P49286 1/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 3/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 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
SCHEMBL3627857 0.89 HTT (1.00) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL14191209 0.85 ALDH1A1 (0.91) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL791852 0.82 HTT (0.86) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL29377831 0.81 HTT (0.83) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL6444082 0.81 HTT (0.83) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL553790 0.79 ALDH1A1 (0.79) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL2096836 0.79 HTT (0.79) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL6830292 0.79 HTT (0.79) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL29553492 0.79 ALDH1A1 (0.79) HTTALDH1A1MAPK1L3MBTL1CA12
SCHEMBL3968425 0.79 ALDH1A1 (0.51) HTTALDH1A1MAPK1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 HTT 4656/4885ALDH1A1 839/4885MAPK1 1769/4885

“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.