SCHEMBL21156875

SCHEMBL21156875

CCCCc1cn(-c2ccc(CCCCC(C)C)cc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.60
BCHE P06276 1/20 0.49
DDX3X O00571 7/20 0.47
S1PR1 P21453 5/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SPHK1 Q9NYA1 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL21156928 0.89 MIF (0.52) MIFBCHEDDX3XCA12CA1
SCHEMBL21156929 0.87 MIF (0.50) MIFBCHEDDX3XCA1CA2
SCHEMBL21156459 0.86 NOTUM (0.52) MIFBCHEDDX3XCA12CA1
SCHEMBL21157740 0.86 NOTUM (0.57) MIFBCHEDDX3XCA12CA1
SCHEMBL21156932 0.85 NOTUM (0.50) MIFBCHEDDX3XS1PR1CA12
SCHEMBL21157760 0.84 NOTUM (0.51) MIFDDX3X
SCHEMBL21156454 0.84 DDX3X (0.45) MIFBCHEDDX3XS1PR1
SCHEMBL13527028 0.82 MIF (0.60) MIFBCHEDDX3XS1PR1CA12
SCHEMBL15060974 0.82 MIF (0.71) MIFBCHEDDX3XS1PR1CA12
SCHEMBL21157743 0.81 BCHE (0.42) MIFBCHEDDX3XS1PR1CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 MIF 196/4885BCHE 2005/4885DDX3X 3177/4885

“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.