SCHEMBL300798

SCHEMBL300798

NCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.69
MMP9 P14780 10/20 0.69
MMP3 P08254 4/20 0.69
MMP13 P45452 4/20 0.55
MMP8 P22894 3/20 0.55
LMNA P02545 1/20 0.43
CACNA1F O60840 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL14782939 0.85 MMP2 (0.72) MMP2MMP9MMP3MMP13MMP8
SCHEMBL14788892 0.82 MMP9 (0.72) MMP2MMP9MMP3MMP13MMP8
SCHEMBL11143027 0.82 MMP9 (0.68) MMP2MMP9MMP3MMP13MMP8
SCHEMBL300824 0.81 MMP2 (0.70) MMP2MMP9MMP3MMP13MMP8
SCHEMBL12457432 0.78 MMP9 (0.67) MMP2MMP9MMP3MMP13MMP8
SCHEMBL7646070 0.77 MMP9 (0.74) MMP2MMP9MMP3MMP13MMP8
SCHEMBL14788914 0.75 MMP2 (0.62) MMP2MMP9MMP3MMP13MMP8
Phenobarbital SCHEMBL17372721 0.75 MMP9 (0.57) MMP2MMP9MMP3MMP13MMP8
SCHEMBL300807 0.74 MMP2 (0.49) MMP2MMP9MMP3MMP13MMP8
Phenobarbital SCHEMBL2323476 0.73 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133743-B2 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-03-13 US disclosed
US-20090104713-A1 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2009-04-23 US disclosed
US-4404366-A ENZYME CLEAVABLE GLYCOSIDIC LINKAGE MILES LABORATORIES, INC. (US) 1983-09-13 US disclosed
US-4363874-A RADIOIMMUNOASSAY DIAGNOSIS MILES LABORATORIES, INC. (US) 1982-12-14 US disclosed
US-4331590-A β-Galactosyl-umbelliferone-labeled protein and polypeptide conjugates MILES LABORATORIES, INC. (US) 1982-05-25 US disclosed
US-4279992-A Specific binding assay employing an enzyme-cleavable substrate as label MILES LABORATORIES, INC. (US) 1981-07-21 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-20090104713-A1 Phenobarbital derivatives useful in immunoassay PGM2, CYP4F2, CYP3A7 MMP2 1480/4885MMP9 2113/4885MMP3 3968/4885

“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.