SCHEMBL4331381

SCHEMBL4331381

NC(=S)NN=Cc1cc(F)c(N2CC[C@@H](NCc3ccc(F)cc3)C2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOB P27338 2/20 0.39
RPS6KB1 P23443 2/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CCR3 P51677 1/20 0.34
TYR P14679 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
SCHEMBL4329393 1.00 BCHE (0.41) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4331380 1.00 BCHE (0.41) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4329387 1.00 BCHE (0.41) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4327749 0.93 MAOB (0.44) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4322290 0.93 MAOB (0.44) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4327756 0.93 MAOB (0.44) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4329139 0.93 MAOB (0.44) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4328848 0.90 TMEM97 (0.46) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL13611881 0.90 TMEM97 (0.46) BCHEACHEBACE1TMEM97SIGMAR1
SCHEMBL4328846 0.90 TMEM97 (0.46) BCHEACHEBACE1TMEM97SIGMAR1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 BCHE 2634/4885ACHE 2128/4885BACE1 4577/4885

“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.