SCHEMBL8218254

SCHEMBL8218254

O=C(NCc1nc(Cc2cccnc2)cs1)n1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 3/20 0.46
▸ MGLL Q99685 2/20 0.42
▸ SLC40A1 Q9NP59 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ F12 P00748 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FAAH O00519 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
SCHEMBL8220332 0.90 ASAH1 (0.54) ASAH1MGLLRAB9APOLBADAM17
SCHEMBL8218202 0.89 ASAH1 (0.46) ASAH1MGLLSLC40A1NTRK1RAB9A
SCHEMBL8218185 0.84 ASAH1 (0.47) ASAH1MGLLRAB9AADAM17HSD17B10
SCHEMBL8221507 0.83 ASAH1 (0.49) ASAH1MGLLRAB9AHTTHSD17B10
SCHEMBL8218187 0.82 ASAH1 (0.49) ASAH1MGLLHTTHSD17B10MEN1
SCHEMBL8218911 0.81 ASAH1 (0.46) ASAH1MGLLHTTHSD17B10MEN1
SCHEMBL8214379 0.81 ASAH1 (0.46) ASAH1MGLLHTTHSD17B10KMT2A
SCHEMBL8214397 0.81 ASAH1 (0.60) ASAH1MGLLRAB9APOLBADAM17
SCHEMBL8218156 0.79 MGLL (0.46) ASAH1MGLLRAB9AHTTADAM17
SCHEMBL8221502 0.79 ASAH1 (0.42) ASAH1MGLLNTRK1RAB9APOLB

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 ASAH1 31/4885MGLL 588/4885SLC40A1 1715/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ASAH1 37/4885MGLL 1313/4885SLC40A1 1575/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ASAH1 42/4885MGLL 1323/4885SLC40A1 1846/4885

“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.

Send feedback