SCHEMBL8218156

SCHEMBL8218156

O=C(NCc1nc(Cc2ccccc2-c2ccccc2)cs1)n1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.46
▸ FAAH O00519 4/20 0.46
▸ ASAH1 Q13510 2/20 0.44
▸ KCNN4 O15554 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ MGAM O43451 3/20 0.37
▸ AMY1A P0DUB6 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ SI P14410 3/20 0.37
▸ MGAM2 Q2M2H8 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ SLC9A1 P19634 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ F12 P00748 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL8218187 0.87 ASAH1 (0.49) MGLLFAAHASAH1HPGDMGAM
SCHEMBL8214379 0.87 ASAH1 (0.46) MGLLFAAHASAH1HPGDMGAM
SCHEMBL8220332 0.86 ASAH1 (0.54) MGLLFAAHASAH1HPGDMGAM
SCHEMBL8221507 0.85 ASAH1 (0.49) MGLLASAH1HPGDMGAMAMY1A
SCHEMBL8210947 0.84 ASAH1 (0.44) MGLLFAAHASAH1HPGDMGAM
SCHEMBL8218175 0.84 F12 (0.46) MGLLASAH1MGAMAMY1AGAA
SCHEMBL8221798 0.83 ASAH1 (0.42) MGLLFAAHASAH1HPGDMGAM
SCHEMBL8218202 0.82 ASAH1 (0.46) MGLLFAAHASAH1HPGDMGAM
SCHEMBL8218911 0.81 ASAH1 (0.46) MGLLFAAHASAH1HPGDMGAM
SCHEMBL8210931 0.80 ASAH1 (0.42) MGLLFAAHASAH1MGAMAMY1A

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 7 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-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 MGLL 588/4885FAAH 229/4885ASAH1 31/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF MGLL 1313/4885FAAH 321/4885ASAH1 37/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 MGLL 1323/4885FAAH 435/4885ASAH1 42/4885

“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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