SCHEMBL4448482

SCHEMBL4448482

NC(=S)NN=Cc1ccc(N2CCCN(Cc3ccccc3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6442533 1.00 ACHE (0.44) ACHECA1CA2CA7CA9
SCHEMBL4336689 0.96 ACHE (0.46) ACHECA1CA2CA7CA9
SCHEMBL4336685 0.96 ACHE (0.46) ACHECA1CA2CA7CA9
SCHEMBL4338895 0.89 PKM (0.44) ACHEALDH1A1LMNAPOLBKDM4E
SCHEMBL4338897 0.89 PKM (0.44) ACHEALDH1A1LMNAPOLBKDM4E
SCHEMBL4338757 0.88 ACHE (0.46) ACHECA1CA2CA7CA9
SCHEMBL4338750 0.88 ACHE (0.46) ACHECA1CA2CA7CA9
SCHEMBL4340026 0.88 TYR (0.45) ALDH1A1LMNAMAPTKDM4E
SCHEMBL4340024 0.88 TYR (0.45) ALDH1A1LMNAMAPTKDM4E
SCHEMBL4329593 0.88 ACHE (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.