SCHEMBL4336823

SCHEMBL4336823

NC(=S)N/N=C/c1ccc(N2CCN(Cc3ccncc3)CC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
KDM4E B2RXH2 2/20 0.42
TYR P14679 1/20 0.42
POLB P06746 2/20 0.41
MAOA P21397 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
GFER P55789 1/20 0.40
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
ACHE P22303 1/20 0.40
RRM2 P31350 1/20 0.40
GRM5 P41594 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL4336828 1.00 THRB (0.48) THRBKDM4ETYRPOLBMAOA
SCHEMBL4331444 0.90 THRB (0.44) THRBKDM4ETYRPOLBMAOA
SCHEMBL4331448 0.90 THRB (0.44) THRBKDM4ETYRPOLBMAOA
SCHEMBL4341322 0.89 DRD2 (0.51) THRBKDM4EPOLBPKMGFER
SCHEMBL4341326 0.89 DRD2 (0.51) THRBKDM4EPOLBPKMGFER
SCHEMBL4335206 0.88 PKM (0.49) KDM4ETYRPOLBMAOAPKM
SCHEMBL4335203 0.88 PKM (0.49) KDM4ETYRPOLBMAOAPKM
SCHEMBL4327267 0.88 ALDH1A1 (0.45) THRBKDM4EPOLBMAOARAB9A
SCHEMBL4327274 0.88 ALDH1A1 (0.45) THRBKDM4EPOLBMAOARAB9A
SCHEMBL4331921 0.87 PKM (0.46) KDM4EPOLBRAB9APKMHTT

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 6 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 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 THRB 1492/4885KDM4E 3010/4885TYR 1808/4885

“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.