SCHEMBL4334411

SCHEMBL4334411

CCC(CC)N1CCN(c2ccc(-c3cccc(C=NNC(N)=S)c3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.43
BACE1 P56817 2/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAOA P21397 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
AOC3 Q16853 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4334407 1.00 POLB (0.44) POLBMAOBBACE1BCHEACHE
SCHEMBL4330713 0.90 MAOA (0.45) MAOALMNA
SCHEMBL4330709 0.90 MAOA (0.45) MAOALMNA
SCHEMBL4329784 0.82 AURKA (0.48) POLBMAOBBACE1BCHEACHE
SCHEMBL4329793 0.82 AURKA (0.48) POLBMAOBBACE1BCHEACHE
SCHEMBL4331295 0.81 DRD4 (0.46) POLBMAOBBACE1BCHEACHE
SCHEMBL4331292 0.81 DRD4 (0.46) POLBMAOBBACE1BCHEACHE
SCHEMBL4325345 0.80 POLB (0.44) POLBMAOBBACE1HRH3
SCHEMBL4325350 0.80 POLB (0.44) POLBMAOBBACE1HRH3
SCHEMBL4342058 0.80 PKM (0.49) POLBMAOBBACE1BCHEACHE

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-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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 POLB 3179/4885MAOB 2762/4885BACE1 4577/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 POLB 3934/4885MAOB 3093/4885BACE1 4638/4885

“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.