SCHEMBL8218067

SCHEMBL8218067

O=C(NCc1nc(Cc2ccccc2)co1)n1nnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 5/20 0.54
▸ MGLL Q99685 4/20 0.46
▸ F12 P00748 2/20 0.46
▸ ADAM17 P78536 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MGAM O43451 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SI P14410 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ FAAH O00519 4/20 0.41
▸ PTK2 Q05397 1/20 0.40

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
SCHEMBL8218648 0.90 ASAH1 (0.60) ASAH1MGLLF12ADAM17KMT2A
SCHEMBL8210801 0.88 ASAH1 (0.49) ASAH1MGLLF12KMT2AHSD17B10
SCHEMBL8218126 0.86 ASAH1 (0.46) ASAH1MGLLF12KMT2AHSD17B10
SCHEMBL8218107 0.83 PTK2 (0.46) ASAH1MGLLF12KMT2AMEN1
SCHEMBL8220243 0.81 ASAH1 (0.45) ASAH1MGLLF12KMT2AHSD17B10
SCHEMBL427517 0.80 ASAH1 (0.70) ASAH1MGLLF12KMT2AHSD17B10
SCHEMBL8214093 0.79 ASAH1 (0.49) ASAH1MGLLF12KMT2AHSD17B10
SCHEMBL8220332 0.79 ASAH1 (0.54) ASAH1MGLLF12ADAM17KMT2A
SCHEMBL8214397 0.73 ASAH1 (0.60) ASAH1MGLLF12ADAM17KMT2A
SCHEMBL12593813 0.73 ASAH1 (0.83) ASAH1MGLLF12KMT2AHSD17B10

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-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 ASAH1 31/4885MGLL 588/4885F12 660/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ASAH1 37/4885MGLL 1313/4885F12 394/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ASAH1 42/4885MGLL 1323/4885F12 444/4885

“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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