SCHEMBL21156874

SCHEMBL21156874

CC(=O)c1cn(-c2ccc(CCCCC(C)C)cc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 3/20 0.42
S1PR1 P21453 5/20 0.42
ESRRA P11474 7/20 0.42
CTSC P53634 1/20 0.41
BCHE P06276 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL21157763 0.89 FAAH (0.47) DDX3XS1PR1ESRRABCHECA12
SCHEMBL14567878 0.86 BCHE (0.54) S1PR1BCHECA12CA1CA2
SCHEMBL17795645 0.85 BCHE (0.56) S1PR1BCHECA12CA1CA2
SCHEMBL13527027 0.82 BCHE (0.41) S1PR1ESRRACTSCBCHECA12
SCHEMBL21157743 0.80 BCHE (0.42) DDX3XS1PR1BCHECA12CA1
SCHEMBL21156872 0.80 GLA (0.53) DDX3X
SCHEMBL21157740 0.80 NOTUM (0.57) DDX3XBCHECA12CA1CA2
SCHEMBL21156929 0.79 MIF (0.50) DDX3XBCHECA1CA2CA9
SCHEMBL21156928 0.78 MIF (0.52) DDX3XBCHECA12CA1CA2
SCHEMBL21156459 0.77 NOTUM (0.52) DDX3XBCHECA12CA1CA2

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 DDX3X 3177/4885S1PR1 1144/4885ESRRA 2155/4885

“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.