SCHEMBL21156872

SCHEMBL21156872

CC(=O)OCc1cn(-c2ccc(CCCCC(C)C)cc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
PTGS2 P35354 2/20 0.53
DDX3X O00571 4/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 1/20 0.47
P2RX7 Q99572 1/20 0.46
GAA P10253 1/20 0.46
MIF P14174 2/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL16479571 0.87 MIF (0.60) GLAPTGS2ALDH1A1CYP1A2CYP2C9
SCHEMBL17795429 0.86 P2RX7 (0.61) GLAPTGS2ALDH1A1CYP1A2CYP2C9
SCHEMBL21157760 0.85 NOTUM (0.51) GLAPTGS2DDX3XNPC1P2RX7
SCHEMBL13526997 0.84 CYP1A2 (0.53) GLAPTGS2ALDH1A1CYP1A2CYP2C9
SCHEMBL21157740 0.82 NOTUM (0.57) DDX3XP2RX7MIFMAPTL3MBTL1
SCHEMBL21156929 0.81 MIF (0.50) DDX3XP2RX7MIFMAPT
SCHEMBL21156874 0.80 DDX3X (0.42) DDX3X
SCHEMBL21156928 0.80 MIF (0.52) DDX3XP2RX7MIFMAPTL3MBTL1
SCHEMBL21156459 0.80 NOTUM (0.52) DDX3XMIF
SCHEMBL21156932 0.79 NOTUM (0.50) PTGS2DDX3XMIF

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 GLA 3442/4885PTGS2 247/4885DDX3X 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.