Sugi Predict

Sugi Predict / Compounds / SCHEMBL4464774

SCHEMBL4464774

SCHEMBL4464774

CN(/N=C/c1cc2ccccc2[nH]1)C(N)=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.55
▸ GRIN3B O60391 2/20 0.55
▸ GRIN1 Q05586 2/20 0.55
▸ GRIN2A Q12879 2/20 0.55
▸ GRIN2B Q13224 2/20 0.55
▸ GRIN2C Q14957 2/20 0.55
▸ GRIN3A Q8TCU5 2/20 0.55
▸ AMY1A P0DUB6 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ NT5E P21589 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ ATP6V1B1 P15313 1/20 0.37
▸ AOC3 Q16853 2/20 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
SCHEMBL4464775 1.00 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4324110 0.74 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4324114 0.74 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6393996 0.72 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14337209 0.72 CYP2A6 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7096273 0.72 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6393993 0.72 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19420144 0.71 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9670042 0.70 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9670041 0.70 GRIN2D (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 — — US disclosed
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 — — US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 — — US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 — — US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 — — 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 (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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GRIN2D 4597/4885GRIN3B 2925/4885GRIN1 3743/4885

“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.