SCHEMBL4329189

SCHEMBL4329189

NC(=S)NN=Cc1ccc(N2CCN(CCc3ccccc3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.45
ADRA1A P35348 3/20 0.45
ADRA1B P35368 3/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL4329185 1.00 ADRA1D (0.45) ADRA1DADRA1AADRA1BMAOBLMNA
SCHEMBL4331636 0.90 ACHE (0.48) MAOBLMNAHTTPOLB
SCHEMBL4331638 0.90 ACHE (0.48) MAOBLMNAHTTPOLB
SCHEMBL4336715 0.88 MAOB (0.44) MAOBLMNAHTTPOLBKDM4E
SCHEMBL4336713 0.88 MAOB (0.44) MAOBLMNAHTTPOLBKDM4E
SCHEMBL4331045 0.87 MAOB (0.46) ADRA1DADRA1AADRA1BMAOBMAPT
SCHEMBL4331046 0.87 MAOB (0.46) ADRA1DADRA1AADRA1BMAOBMAPT
SCHEMBL4338757 0.87 ACHE (0.46) MAOBLMNAHTTPOLB
SCHEMBL4338750 0.87 ACHE (0.46) MAOBLMNAHTTPOLB
SCHEMBL4326677 0.83 MAOB (0.44) ADRA1DADRA1AADRA1BMAOBLMNA

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 ADRA1D 3854/4885ADRA1A 3245/4885ADRA1B 1425/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ADRA1D 3547/4885ADRA1A 3037/4885ADRA1B 1390/4885

“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.