SCHEMBL4334744

SCHEMBL4334744

NC(=S)N(CCN1CCOCC1)/N=C/c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.52
MAPT P10636 9/20 0.52
PPARG P37231 1/20 0.52
NCOA2 Q15596 1/20 0.52
HPGD P15428 8/20 0.48
MAPK1 P28482 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
POLB P06746 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 6/20 0.47
GAA P10253 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4329090 1.00 ALDH1A1 (0.52) ALDH1A1MAPTPPARGNCOA2HPGD
SCHEMBL4329458 0.87 KDM4E (0.48) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL4329463 0.87 KDM4E (0.48) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL4341464 0.83 MAPT (0.49) ALDH1A1MAPTPPARGNCOA2HPGD
SCHEMBL4341461 0.83 MAPT (0.49) ALDH1A1MAPTPPARGNCOA2HPGD
SCHEMBL4329284 0.80 HPGD (0.52) ALDH1A1MAPTHPGDMAPK1RAB9A
SCHEMBL4329288 0.80 HPGD (0.52) ALDH1A1MAPTHPGDMAPK1RAB9A
SCHEMBL4455963 0.80 KDM4E (0.51) ALDH1A1MAPTPPARGNCOA2HPGD
SCHEMBL4326666 0.80 HPGD (0.51) ALDH1A1MAPTHPGDMAPK1RAB9A
SCHEMBL4324411 0.79 KDM4E (0.50) ALDH1A1MAPTHPGDNPC1POLB

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 ALDH1A1 1459/4885MAPT 3619/4885PPARG 393/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885PPARG 415/4885

“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.