SCHEMBL4338967

SCHEMBL4338967

CN(C)CC/C(=N\NC(=S)NCC1CCCO1)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 8/20 0.44
HPGD P15428 5/20 0.44
GAA P10253 4/20 0.42
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL4338981 1.00 HTT (0.50) HTTSMN1; SMN2HPGDGAAALPL
SCHEMBL4460430 0.82 MAPT (0.44) SMN1; SMN2HPGDALDH1A1MAPTNPC1
SCHEMBL13611608 0.82 MAPT (0.44) SMN1; SMN2HPGDALDH1A1MAPTNPC1
SCHEMBL4338974 0.81 MAPT (0.40) HTTSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL4323041 0.80 ALDH1A1 (0.45) SMN1; SMN2HPGDGAAALDH1A1MAPT
SCHEMBL4323030 0.80 ALDH1A1 (0.45) SMN1; SMN2HPGDGAAALDH1A1MAPT
SCHEMBL4335881 0.78 ALDH1A1 (0.46) HTTSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL4335875 0.78 ALDH1A1 (0.46) HTTSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL4329484 0.77 GAA (0.57) HTTSMN1; SMN2HPGDGAAALDH1A1
SCHEMBL4329474 0.77 GAA (0.57) HTTSMN1; SMN2HPGDGAAALDH1A1

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 2994/4885SMN1; SMN2 4740/4885HPGD 1646/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HTT 3282/4885SMN1; SMN2 4815/4885HPGD 1495/4885

“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.