SCHEMBL4333710

SCHEMBL4333710

NC(=S)NN=Cc1cc(F)c(N2CCN(CC3CCCCC3)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
TRPC5 Q9UL62 1/20 0.35
TOP2B Q02880 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4333709 1.00 MAOB (0.39) MAOBCASP1CASP4CASP5TRPC5
SCHEMBL4336051 0.86 MAOB (0.34) MAOBCASP1CASP4CASP5TRPC5
SCHEMBL4336049 0.86 MAOB (0.34) MAOBCASP1CASP4CASP5TRPC5
SCHEMBL4336598 0.86 MAOB (0.42) MAOBCASP1CASP4CASP5ALDH1A1
SCHEMBL4336594 0.86 MAOB (0.42) MAOBCASP1CASP4CASP5ALDH1A1
SCHEMBL4334848 0.85 MAOB (0.39) MAOBCASP1CASP4CASP5TRPC5
SCHEMBL4334854 0.85 MAOB (0.39) MAOBCASP1CASP4CASP5TRPC5
SCHEMBL4331696 0.84 KDM4E (0.39) MAOBTOP2BMEN1ALDH1A1GAA
SCHEMBL4331692 0.84 KDM4E (0.39) MAOBTOP2BMEN1ALDH1A1GAA
SCHEMBL4324418 0.84 MAOB (0.41) MAOBMEN1USP2ALDH1A1GAA

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 MAOB 2762/4885CASP1 755/4885CASP4 2396/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885CASP1 996/4885CASP4 2322/4885

“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.