SCHEMBL19129734

SCHEMBL19129734

CCCc1cccc(N=C=S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ P2RY6 Q15077 2/20 0.46
▸ MIF P14174 4/20 0.45
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ADORA2B P29275 2/20 0.39

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
SCHEMBL28361330 0.90 P2RY6 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1435119 0.85 GABRA1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28780514 0.82 MIF (0.50) P2RY6MIFGABRA1GABRB2MEN1
SCHEMBL1357859 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19129731 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3542545 0.78 NOS1 (0.49) P2RY6MIFGABRA1GABRB2MEN1
SCHEMBL347355 0.78 MIF (0.48) P2RY6MIFGABRA1GABRB2MEN1
SCHEMBL27300646 0.78 NOS1 (0.53) P2RY6MIFNOS1
SCHEMBL28306783 0.78 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28306787 0.78 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 4433/4885GRIN3B 3871/4885GRIN1 3510/4885
US-20170204055-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES USP1, USP2, USP18 GRIN2D 4433/4885GRIN3B 3871/4885GRIN1 3510/4885

“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.

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