SCHEMBL19129883

SCHEMBL19129883

C=C=Nc1cccc(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CHRNA7 P36544 3/20 0.40
TP53 P04637 1/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL19129731 0.85 GRIN2D (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17707285 0.81 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17707286 0.81 SIGMAR1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL58461 0.81 GABRA1 (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1435119 0.81 GABRA1 (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7050106 0.75 SIGMAR1 (0.49) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19129733 0.75 PLAU (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18265417 0.74 HTR3E (0.48) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16961786 0.74 TP53 (0.42) TP53IDO1
SCHEMBL6995828 0.74 SIGMAR1 (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017463-B2 Inhibitors of deubiquitinating proteases BRANDEIS UNIVERSITY (US) 2018-07-10 US disclosed
US-20170204055-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES BRANDEIS UNIVERSITY (US) 2017-07-20 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-10017463-B2 Inhibitors of deubiquitinating proteases USP1, USP2, USP18 SIGMAR1 4223/4885GRIN2D 4433/4885GRIN3B 3871/4885
US-20170204055-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES USP1, USP2, USP18 SIGMAR1 4223/4885GRIN2D 4433/4885GRIN3B 3871/4885

“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.