SCHEMBL5407618

SCHEMBL5407618

Cc1cc(Cc2ccc(C(=O)Nc3ccccc3C(=O)c3c[nH]c(=O)[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.79
MMP13 P45452 2/20 0.79
MMP12 P39900 1/20 0.53
TYMS P04818 4/20 0.48
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP10 P09238 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
HDAC1 Q13547 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
SCHEMBL5416972 0.88 ADAM17 (1.00) ADAM17MMP13MMP12MMP3
SCHEMBL5407548 0.75 ADAM17 (1.00) ADAM17MMP13MMP12MMP3
SCHEMBL6100698 0.74 ADAM17 (0.77) ADAM17MMP13MMP12MMP3
Trifluoroacetic Acid SCHEMBL6101265 0.71 ADAM17 (0.71) ADAM17MMP13MMP12MMP3
SCHEMBL3967865 0.71 ADAM17 (0.57) ADAM17MMP3MMP7MMP10
SCHEMBL3969671 0.69 KDM4E (0.61) ADAM17MMP3MMP7MMP10
SCHEMBL7257033 0.69 ADAM17 (0.55) ADAM17MMP3MMP7MMP10
SCHEMBL3968155 0.68 MMP2 (0.61) ADAM17MMP12MMP3
SCHEMBL6788649 0.67 ADAM17 (0.86) ADAM17MMP3MMP7MMP10
SCHEMBL5254445 0.66 ADAM17 (0.64) ADAM17MMP3MMP7MMP10

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-7211671-B2 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL MYERS SQUIBB COMPANY (US) 2007-05-01 US claimed
US-20050075384-A1 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 US claimed
US-7211671-B2 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7211671-B2 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-7211671-B2 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
US-20050075384-A1 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 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-20050075384-A1 Substituted 1,3-dihydro-imidazol-2-one and 1,3-dihydro-imidazol-2-thione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, ADAM33, ADAM8 ADAM17 4/4885MMP13 20/4885MMP12 22/4885

“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.