SCHEMBL21156932

SCHEMBL21156932

CC(C)CCCCc1ccc(-n2cc(CN(C)C)nn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
MIF P14174 5/20 0.44
DDX3X O00571 4/20 0.43
BCHE P06276 1/20 0.41
CD74 P04233 1/20 0.39
S1PR1 P21453 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PTGS2 P35354 2/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL21157740 0.86 NOTUM (0.57) NOTUMMIFDDX3XBCHECA12
SCHEMBL21156459 0.86 NOTUM (0.52) NOTUMMIFDDX3XBCHECD74
SCHEMBL16479596 0.85 MIF (0.60) NOTUMMIFDDX3XBCHES1PR1
SCHEMBL21156875 0.85 MIF (0.60) MIFDDX3XBCHES1PR1CA12
SCHEMBL21156929 0.85 MIF (0.50) NOTUMMIFDDX3XBCHECD74
SCHEMBL17795660 0.84 MIF (0.59) NOTUMMIFDDX3XBCHES1PR1
SCHEMBL21156928 0.84 MIF (0.52) NOTUMMIFDDX3XBCHECD74
SCHEMBL21156454 0.84 DDX3X (0.45) NOTUMMIFDDX3XBCHECD74
SCHEMBL21157760 0.84 NOTUM (0.51) NOTUMMIFDDX3XCD74PTGS2
SCHEMBL13527029 0.82 NOTUM (0.50) NOTUMMIFDDX3XBCHECD74

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 NOTUM 3719/4885MIF 196/4885DDX3X 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.