SCHEMBL4342102

SCHEMBL4342102

COCCCNC(=S)NN=CC1CCCCN1Cc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 5/20 0.43
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4342093 1.00 GAA (0.43) GAAKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL4331347 0.87 GAA (0.44) GAAKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL4331355 0.87 GAA (0.44) GAAKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL4325576 0.80 ALDH1A1 (0.35) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL4325581 0.80 ALDH1A1 (0.35) KDM4EALDH1A1LMNAMAPTNPSR1
SCHEMBL4326191 0.79 GAA (0.48) GAAKDM4EALDH1A1LMNAHPGD
SCHEMBL4337953 0.79 LMNA (0.52) GAAKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL4326189 0.79 GAA (0.48) GAAKDM4EALDH1A1LMNAHPGD
SCHEMBL4342098 0.77 SIGMAR1 (0.31) KDM4EALDH1A1
SCHEMBL4338699 0.70 ALDH1A1 (0.39) GAAKDM4EALDH1A1LMNAL3MBTL1

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 3010/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GAA 2263/4885KDM4E 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.