SCHEMBL4331636

SCHEMBL4331636

NC(=S)N/N=C/c1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL4331638 1.00 ACHE (0.48) ACHEMAOBL3MBTL1CA1CA2
SCHEMBL4338750 0.96 ACHE (0.46) ACHEMAOBL3MBTL1CA1CA2
SCHEMBL4338757 0.96 ACHE (0.46) ACHEMAOBL3MBTL1CA1CA2
SCHEMBL4335097 0.92 PKM (0.48) ACHEMAOBLMNAHTTPKM
SCHEMBL4335100 0.92 PKM (0.48) ACHEMAOBLMNAHTTPKM
SCHEMBL4331495 0.92 TYR (0.48) MAOBPKMALDH1A1POLB
SCHEMBL4331500 0.92 TYR (0.48) MAOBPKMALDH1A1POLB
SCHEMBL4335612 0.91 PKM (0.53) MAOBL3MBTL1PKMALDH1A1POLB
SCHEMBL4335617 0.91 PKM (0.53) MAOBL3MBTL1PKMALDH1A1POLB
SCHEMBL4331448 0.90 THRB (0.44) ACHEMAOBLMNAHTTPKM

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 ACHE 2128/4885MAOB 2762/4885L3MBTL1 3722/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ACHE 1897/4885MAOB 3093/4885L3MBTL1 3686/4885

“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.