SCHEMBL4334445

SCHEMBL4334445

NC(=S)N/N=C/c1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
PKM P14618 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
MAOB P27338 1/20 0.43
MAOA P21397 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NPY2R P49146 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4334447 1.00 TYR (0.45) TYRPKMOPRM1OPRK1MAOB
SCHEMBL4331495 0.96 TYR (0.48) TYRPKMMAOBMAOAALDH1A1
SCHEMBL4331500 0.96 TYR (0.48) TYRPKMMAOBMAOAALDH1A1
SCHEMBL4338757 0.93 ACHE (0.46) PKMMAOBALDH1A1POLB
SCHEMBL4338750 0.93 ACHE (0.46) PKMMAOBALDH1A1POLB
SCHEMBL4335617 0.89 PKM (0.53) TYRPKMMAOBMAOAALDH1A1
SCHEMBL4335612 0.89 PKM (0.53) TYRPKMMAOBMAOAALDH1A1
SCHEMBL4331513 0.89 HTT (0.48) TYRPKMMAOBMAOAALDH1A1
SCHEMBL4333930 0.89 OPRM1 (0.46) TYRPKMOPRM1OPRK1MAOB
SCHEMBL4333927 0.89 OPRM1 (0.46) TYRPKMOPRM1OPRK1MAOB

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 TYR 1808/4885PKM 4105/4885OPRM1 1674/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TYR 2113/4885PKM 4038/4885OPRM1 1980/4885

“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.