SCHEMBL12215829

SCHEMBL12215829

Cc1nc2cc(Cl)ccc2n1Cc1csc(CNC(=O)n2nnc3ccccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PPARG P37231 3/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ F12 P00748 1/20 0.37
▸ KCNMA1 Q12791 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ADAM17 P78536 1/20 0.36

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
SCHEMBL8210917 0.93 GSK3B (0.40) ASAH1GSK3BGALR3NR2F2RAB9A
SCHEMBL8218877 0.92 ASAH1 (0.41) ASAH1GSK3BPPARGKCNH2MGLL
SCHEMBL8218142 0.91 ASAH1 (0.45) ASAH1GSK3BGALR3NR2F2RAB9A
SCHEMBL12215826 0.86 ASAH1 (0.41) ASAH1GSK3BKCNH2MGLLHDAC1
SCHEMBL8214381 0.78 ALDH1A1 (0.43) ASAH1GSK3BKMT2AMGLLADAM17
SCHEMBL8221507 0.78 ASAH1 (0.49) ASAH1RAB9AKMT2AMGLLF12
SCHEMBL8214379 0.78 ASAH1 (0.46) ASAH1GSK3BKMT2AMGLLF12
SCHEMBL8218187 0.77 ASAH1 (0.49) ASAH1KMT2AMGLLF12KCNMA1
SCHEMBL8218911 0.76 ASAH1 (0.46) ASAH1KMT2AMGLL
SCHEMBL8218185 0.76 ASAH1 (0.47) ASAH1RAB9AKMT2AMGLLADAM17

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 4 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-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-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

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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 ASAH1 31/4885GSK3B 1275/4885GALR3 2442/4885

“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