SCHEMBL4331355

SCHEMBL4331355

COCCCNC(=S)NN=CC1CCCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4C Q9H3R0 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 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
SCHEMBL4331347 1.00 GAA (0.44) GAAPKMMAPTKDM4EALDH1A1
SCHEMBL4342102 0.87 GAA (0.43) GAAPKMMAPTKDM4EALDH1A1
SCHEMBL4342093 0.87 GAA (0.43) GAAPKMMAPTKDM4EALDH1A1
SCHEMBL4338699 0.83 ALDH1A1 (0.39) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL13612259 0.83 ALDH1A1 (0.39) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL13612399 0.82 SMN1; SMN2 (0.43) GAAMAPTKDM4ELMNANPC1
SCHEMBL4325060 0.82 SMN1; SMN2 (0.43) GAAMAPTKDM4ELMNANPC1
SCHEMBL4326605 0.79 ALDH1A1 (0.38) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL4326601 0.79 ALDH1A1 (0.38) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL4331960 0.78 SMN1; SMN2 (0.52) GAAKDM4EALDH1A1LMNANPC1

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 2113/4885PKM 4105/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GAA 2263/4885PKM 4038/4885MAPT 3876/4885

“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.