SCHEMBL4336766

SCHEMBL4336766

NC(=S)NN=Cc1cc(F)c(N2CCN(CC3CCCCC3)CC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
GAA P10253 1/20 0.35

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
SCHEMBL4336762 1.00 MAOB (0.39) MAOBKDM4EPOLBCASP1CASP4
SCHEMBL4336594 0.87 MAOB (0.42) MAOBKDM4EPOLBCASP1CASP4
SCHEMBL4336598 0.87 MAOB (0.42) MAOBKDM4EPOLBCASP1CASP4
SCHEMBL4329353 0.84 GAA (0.43) MAOBKDM4EPOLBGAA
SCHEMBL4329355 0.84 GAA (0.43) MAOBKDM4EPOLBGAA
SCHEMBL4335431 0.84 MAOB (0.41) MAOBKDM4EPOLB
SCHEMBL4344620 0.84 MAOB (0.41) MAOBKDM4EPOLB
SCHEMBL4335427 0.84 MAOB (0.41) MAOBKDM4EPOLB
SCHEMBL4344617 0.84 MAOB (0.41) MAOBKDM4EPOLB
SCHEMBL4329900 0.83 MAOB (0.42) MAOBKDM4EPOLB

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 2762/4885KDM4E 3010/4885POLB 3179/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885KDM4E 2338/4885POLB 3934/4885

“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.