SCHEMBL4336049

SCHEMBL4336049

NC(=S)N/N=C/c1cc(F)c(N2CCN(CC3CCCCC3)CC2)cc1N1CC[C@@H]2CCCC[C@@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
CASP1 P29466 1/20 0.31
CASP4 P49662 1/20 0.31
CASP5 P51878 1/20 0.31
CHRM4 P08173 1/20 0.31
TOP2B Q02880 1/20 0.31
TRPC5 Q9UL62 1/20 0.31
HTR1A P08908 1/20 0.30
KCNH2 Q12809 1/20 0.30
DRD2 P14416 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
SCHEMBL4336051 1.00 MAOB (0.34) MAOBCASP1CASP4CASP5CHRM4
SCHEMBL4329110 0.87 MAOB (0.35) MAOB
SCHEMBL4329103 0.87 MAOB (0.35) MAOB
SCHEMBL4335699 0.87 MCL1 (0.39) MAOB
SCHEMBL4335701 0.87 MCL1 (0.39) MAOB
SCHEMBL4333710 0.86 MAOB (0.39) MAOBCASP1CASP4CASP5TOP2B
SCHEMBL4333709 0.86 MAOB (0.39) MAOBCASP1CASP4CASP5TOP2B
SCHEMBL13887299 0.84 MAOB (0.42) MAOB
SCHEMBL4464607 0.84 MAOB (0.33) MAOB
SCHEMBL4464608 0.84 MAOB (0.33) MAOB

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 6 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-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-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.