SCHEMBL21157740

SCHEMBL21157740

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.57
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
P2RX7 Q99572 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MIF P14174 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
DDX3X O00571 1/20 0.46
BCHE P06276 1/20 0.45

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
SCHEMBL21156929 0.91 MIF (0.50) NOTUMKDM4EMAPTP2RX7MIF
SCHEMBL21156928 0.90 MIF (0.52) NOTUMKDM4EMAPTP2RX7L3MBTL1
SCHEMBL21156459 0.87 NOTUM (0.52) NOTUMMIFCA12CA1CA2
SCHEMBL21156932 0.86 NOTUM (0.50) NOTUMMIFCA12CA1CA2
SCHEMBL21156875 0.86 MIF (0.60) MIFCA12CA1CA2CA9
SCHEMBL15060865 0.85 MIF (0.66) NOTUMKDM4EMAPTP2RX7L3MBTL1
SCHEMBL21157760 0.85 NOTUM (0.51) NOTUMP2RX7L3MBTL1MIFDDX3X
SCHEMBL21156454 0.85 DDX3X (0.45) NOTUMMIFDDX3XBCHE
SCHEMBL13527307 0.84 MIF (0.64) NOTUMKDM4EMAPTP2RX7L3MBTL1
SCHEMBL21157743 0.82 BCHE (0.42) NOTUMMIFCA12CA1CA2

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 3719/4885KDM4E 3922/4885MAPT 4213/4885

“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.