SCHEMBL20408652

SCHEMBL20408652

C=NP(N)(=S)NCCCC

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL20408651 0.78 ADH1B (0.31) TSHR
SCHEMBL21895942 0.76 ADH1B (0.30)
SCHEMBL180545 0.75
SCHEMBL20408650 0.75 ALDH1A1 (0.30)
SCHEMBL18854183 0.71 TSHR (0.35) TSHRCA1CA2
SCHEMBL21480767 0.71 TSHR (0.35) TSHRCA1CA2
SCHEMBL3372484 0.71 TSHR (0.31) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3376705 0.71 TSHR (0.31) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20408384 0.69
SCHEMBL3978227 0.69 TSHR (0.43) TSHR

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-20200109092-A1 COMPOSITION CONTAINING N-(N-BUTYL) THIOPHOSPHORIC TRIAMIDE ADDUCTS AND REACTION PRODUCTS KOCH AGRONOMIC SERVICES, LLC 2020-04-09 US disclosed
US-20180208520-A1 COMPOSITION CONTAINING N-(N-BUTYL) THIOPHOSPHORIC TRIAMIDE ADDUCTS AND REACTION PRODUCTS KOCH AGRONOMIC SERVICES, LLC (US) 2018-07-26 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-20180208520-A1 COMPOSITION CONTAINING N-(N-BUTYL) THIOPHOSPHORIC TRIAMIDE ADDUCTS AND REACTION PRODUCTS PNP, MTAP, RNGTT TSHR 2415/4885GRIN2D 3704/4885GRIN3B 4037/4885
US-20200109092-A1 COMPOSITION CONTAINING N-(N-BUTYL) THIOPHOSPHORIC TRIAMIDE ADDUCTS AND REACTION PRODUCTS PNP, MTAP, RNGTT TSHR 2415/4885GRIN2D 3704/4885GRIN3B 4037/4885

“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.