SCHEMBL179166

SCHEMBL179166

COCCCN/C(=N\CO)c1nonc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 3/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL122486 0.86 GAA (0.41) GAASMN1; SMN2IDO1MAPTKMT2A
SCHEMBL146188 0.86 GAA (0.41) GAASMN1; SMN2IDO1MAPTKMT2A
SCHEMBL10173793 0.80 IDO1 (0.36) GAASMN1; SMN2IDO1MAPTKMT2A
SCHEMBL148747 0.79 GAA (0.42) GAASMN1; SMN2IDO1MAPTKMT2A
SCHEMBL122852 0.79 GAA (0.42) GAASMN1; SMN2IDO1MAPTKMT2A
SCHEMBL19881772 0.78 GAA (0.41) GAASMN1; SMN2IDO1MAPTKMT2A
SCHEMBL16183280 0.77 GAA (0.43) GAASMN1; SMN2MAPTKMT2ATHRB
SCHEMBL146189 0.77 IDO1 (0.51) IDO1MAPTHTTGFER
SCHEMBL148748 0.73 IDO1 (0.53) IDO1MAPTHTTGFER
SCHEMBL19881776 0.73 GAA (0.40) GAASMN1; SMN2MAPTKMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase INCYTE CORPORATION, A DELAWARE CORPORATION 2012-03-08 US disclosed
US-8088803-B2 1,2,5-oxadiazoles as inhibitors of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2012-01-03 US disclosed
US-20100015178-A1 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION 2010-01-21 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 (2 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-20100015178-A1 1,2,5-OXADIAZOLES AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT GAA 2895/4885SMN1; SMN2 3837/4885IDO1 1/4885
US-20120058079-A1 1,2,5-Oxadiazoles as Inhibitors of Indoleamine 2,3-Dioxygenase IDO1, IDO2, INMT GAA 2895/4885SMN1; SMN2 3837/4885IDO1 1/4885

“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.