SCHEMBL4331448

SCHEMBL4331448

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccncc3)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
MAOB P27338 1/20 0.42
PKM P14618 1/20 0.41
TYR P14679 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAOA P21397 1/20 0.40
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
RRM2 P31350 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4331444 1.00 THRB (0.44) THRBPOLBGFERMAOBPKM
SCHEMBL4331636 0.90 ACHE (0.48) POLBMAOBPKMLMNAALDH1A1
SCHEMBL4331495 0.90 TYR (0.48) POLBMAOBPKMTYRKDM4E
SCHEMBL4336828 0.90 THRB (0.48) THRBPOLBGFERPKMTYR
SCHEMBL4336823 0.90 THRB (0.48) THRBPOLBGFERPKMTYR
SCHEMBL4331638 0.90 ACHE (0.48) POLBMAOBPKMLMNAALDH1A1
SCHEMBL4331500 0.90 TYR (0.48) POLBMAOBPKMTYRKDM4E
SCHEMBL4335612 0.89 PKM (0.53) THRBPOLBMAOBPKMTYR
SCHEMBL4335617 0.89 PKM (0.53) THRBPOLBMAOBPKMTYR
SCHEMBL4336843 0.89 ALDH1A1 (0.54) POLBGFERMAOBPKMKDM4E

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 THRB 1492/4885POLB 3179/4885GFER 540/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 THRB 1866/4885POLB 3934/4885GFER 417/4885

“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.