SCHEMBL4329609

SCHEMBL4329609

N#Cc1cc(C=NNC(N)=S)ccc1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
MAOA P21397 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN7 P35236 1/20 0.38
GPR183 P32249 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4329600 1.00 TYR (0.48) TYRMAOAPKMRAB9ASIGMAR1
SCHEMBL4338100 0.89 PKM (0.43) PKMRAB9ASIGMAR1ACHEMAPT
SCHEMBL4338092 0.89 PKM (0.43) PKMRAB9ASIGMAR1ACHEMAPT
SCHEMBL4322542 0.89 TYR (0.45) TYRMAOAPKMACHEMAPT
SCHEMBL4322546 0.89 TYR (0.45) TYRMAOAPKMACHEMAPT
SCHEMBL4327308 0.89 ACHE (0.49) ACHEKDM4EHTTPOLBLMNA
SCHEMBL4327302 0.89 ACHE (0.49) ACHEKDM4EHTTPOLBLMNA
SCHEMBL4337981 0.87 TYR (0.49) TYRMAOAPKMRAB9ASIGMAR1
SCHEMBL4337985 0.87 TYR (0.49) TYRMAOAPKMRAB9ASIGMAR1
SCHEMBL4324030 0.87 TYR (0.49) TYRMAOAPKMRAB9ASIGMAR1

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 TYR 1808/4885MAOA 4418/4885PKM 4105/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TYR 2113/4885MAOA 4455/4885PKM 4038/4885

“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.