SCHEMBL4326166

SCHEMBL4326166

N#Cc1cc(C=NNC(N)=S)ccc1N1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRM4 P08173 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4326161 1.00 ACHE (0.47) ACHECA1CA2CA7CA9
SCHEMBL4327302 0.96 ACHE (0.49) ACHECA1CA2CA7CA9
SCHEMBL4327308 0.96 ACHE (0.49) ACHECA1CA2CA7CA9
SCHEMBL4338092 0.89 PKM (0.43) ACHEALDH1A1CHRM4POLB
SCHEMBL4338100 0.89 PKM (0.43) ACHEALDH1A1CHRM4POLB
SCHEMBL4329593 0.89 ACHE (0.47) ACHECA1CA2CA7CA9
SCHEMBL4329594 0.89 ACHE (0.47) ACHECA1CA2CA7CA9
SCHEMBL13625848 0.88 ACHE (0.46) ACHECA1CA2CA7CA9
SCHEMBL4322546 0.87 TYR (0.45) ACHEALDH1A1CHRM4POLB
SCHEMBL4340510 0.87 ALDH1A1 (0.50) ACHECA1CA2CA7CA9

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 ACHE 2128/4885CA1 4212/4885CA2 2391/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ACHE 1897/4885CA1 4236/4885CA2 2331/4885

“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.