SCHEMBL4322240

SCHEMBL4322240

CCN(CC)c1ccc(/C=N/NC(N)=S)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.75
KDM4E B2RXH2 14/20 0.75
ALDH1A1 P00352 10/20 0.75
NFKB1 P19838 1/20 0.75
NFKB2 Q00653 1/20 0.75
RELA Q04206 1/20 0.75
HPGD P15428 7/20 0.67
GAA P10253 5/20 0.67
LMNA P02545 8/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
TDP1 Q9NUW8 3/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 7/20 0.62
ALOX12 P18054 1/20 0.62
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60

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
SCHEMBL4322243 1.00 MAPT (0.75) MAPTKDM4EALDH1A1NFKB1NFKB2
SCHEMBL6741369 0.87 MAPT (0.68) MAPTKDM4EALDH1A1NFKB1NFKB2
SCHEMBL6741363 0.87 MAPT (0.68) MAPTKDM4EALDH1A1NFKB1NFKB2
Hydrochloric Acid SCHEMBL5703112 0.86 MAPT (0.67) MAPTKDM4EALDH1A1NFKB1NFKB2
Hydrochloric Acid SCHEMBL5703118 0.86 MAPT (0.67) MAPTKDM4EALDH1A1NFKB1NFKB2
SCHEMBL9458235 0.84 MAPT (0.70) MAPTKDM4EALDH1A1NFKB1NFKB2
SCHEMBL8343548 0.83 MAPT (0.69) MAPTKDM4EALDH1A1NFKB1NFKB2
SCHEMBL8343557 0.83 MAPT (0.69) MAPTKDM4EALDH1A1NFKB1NFKB2
SCHEMBL28377843 0.82 MAPT (0.72) MAPTKDM4EALDH1A1NFKB1NFKB2
SCHEMBL2316177 0.79 MAPT (0.69) MAPTKDM4EALDH1A1NFKB1NFKB2

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-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 MAPT 3619/4885KDM4E 3010/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885KDM4E 2338/4885ALDH1A1 1173/4885

“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.