SCHEMBL4256560

SCHEMBL4256560

COC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(-c3ncc(-c4ccc(OC)cc4)o3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.49
ELANE P08246 1/20 0.49
CYP3A4 P08684 3/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 7/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
ESR1 P03372 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
VDR P11473 1/20 0.46
RXRA P19793 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45

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
SCHEMBL4265674 0.91 ALDH1A1 (0.51) PLAUSMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL4266277 0.84 KDM4E (0.57) PLAUSMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL4264131 0.83 PLAU (0.52) PLAUELANECYP3A4SMN1; SMN2ALDH1A1
SCHEMBL4256127 0.81 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TP53MAPK1KDM4E
Hydrochloric Acid SCHEMBL4260464 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TP53MAPK1KDM4E
SCHEMBL4261704 0.79 ALDH1A1 (0.55) CYP3A4SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL4261815 0.79 PTPN1 (0.47) SMN1; SMN2ALDH1A1MAPK1KDM4EHPGD
SCHEMBL4259275 0.79 RAB9A (0.53) CYP3A4SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL4266379 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTTP53ESR1
SCHEMBL4257919 0.77 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPTTP53VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 PLAU 49/4885ELANE 132/4885CYP3A4 604/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 PLAU 238/4885ELANE 706/4885CYP3A4 656/4885

“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.