SCHEMBL4329355

SCHEMBL4329355

NC(=S)NN=Cc1cc(F)c(N2CCN(CC3CCCO3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAOB P27338 1/20 0.37
RAB9A P51151 1/20 0.36
RRM2 P31350 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34

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
SCHEMBL4329353 1.00 GAA (0.43) GAAKDM4EMAOBRAB9ARRM2
SCHEMBL4343189 0.88 GAA (0.43) GAAKDM4EMAOBRAB9APOLB
SCHEMBL4343185 0.88 GAA (0.43) GAAKDM4EMAOBRAB9APOLB
SCHEMBL4336766 0.84 MAOB (0.39) GAAKDM4EMAOBPOLB
SCHEMBL4336762 0.84 MAOB (0.39) GAAKDM4EMAOBPOLB
SCHEMBL4331692 0.84 KDM4E (0.39) GAAKDM4EMAOBRRM2POLB
SCHEMBL4331696 0.84 KDM4E (0.39) GAAKDM4EMAOBRRM2POLB
SCHEMBL4329900 0.77 MAOB (0.42) KDM4EMAOBRAB9APOLBALDH1A1
SCHEMBL4329897 0.77 MAOB (0.42) KDM4EMAOBRAB9APOLBALDH1A1
SCHEMBL4344620 0.77 MAOB (0.41) KDM4EMAOBRAB9APOLBALDH1A1

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 GAA 2113/4885KDM4E 3010/4885MAOB 2762/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GAA 2263/4885KDM4E 2338/4885MAOB 3093/4885

“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.