SCHEMBL4332164

SCHEMBL4332164

FC(F)(F)c1cccc(CN2CCCCC2/C=N/NC(=S)NCc2ccco2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.41
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 3/20 0.40
ALOX12 P18054 2/20 0.40
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
GALR3 O60755 1/20 0.38
TRPC5 Q9UL62 1/20 0.38

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
SCHEMBL4332172 1.00 HTT (0.42) HTTL3MBTL1SMN1; SMN2TDP1ALDH1A1
SCHEMBL4329479 0.91 MAPT (0.43) HTTL3MBTL1SMN1; SMN2TDP1ALDH1A1
SCHEMBL4329486 0.91 MAPT (0.43) HTTL3MBTL1SMN1; SMN2TDP1ALDH1A1
SCHEMBL4329155 0.84 MAPT (0.56) HTTL3MBTL1SMN1; SMN2TDP1ALDH1A1
SCHEMBL4329146 0.84 MAPT (0.56) HTTL3MBTL1SMN1; SMN2TDP1ALDH1A1
SCHEMBL4344643 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1GAAKDM4EMEN1
SCHEMBL4344637 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1GAAKDM4EMEN1
SCHEMBL4344632 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1GAAKDM4EMEN1
SCHEMBL4337962 0.81 LMNA (0.52) L3MBTL1SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL4337953 0.81 LMNA (0.52) L3MBTL1SMN1; SMN2TDP1ALDH1A1POLB

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 7 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
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 HTT 2994/4885L3MBTL1 3722/4885SMN1; SMN2 4740/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HTT 3282/4885L3MBTL1 3686/4885SMN1; SMN2 4815/4885

“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.