SCHEMBL4334861

SCHEMBL4334861

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccncc3)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
RRM2 P31350 1/20 0.42
MAOB P27338 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 2/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4334864 1.00 THRB (0.45) THRBRRM2MAOBPKMPOLB
SCHEMBL4341389 0.90 PKM (0.46) MAOBPKMPOLBKDM4EMAOA
SCHEMBL4341386 0.90 PKM (0.46) MAOBPKMPOLBKDM4EMAOA
SCHEMBL13611676 0.90 L3MBTL1 (0.47) MAOBPKMPOLBALDH1A1LMNA
SCHEMBL4325216 0.89 PKM (0.52) THRBMAOBPKMPOLBKDM4E
SCHEMBL4325211 0.89 PKM (0.52) THRBMAOBPKMPOLBKDM4E
SCHEMBL4331492 0.88 KDM4E (0.48) RRM2MAOBPKMPOLBGFER
SCHEMBL4331496 0.88 KDM4E (0.48) RRM2MAOBPKMPOLBGFER
SCHEMBL4331444 0.88 THRB (0.44) THRBRRM2MAOBPKMPOLB
SCHEMBL4331448 0.88 THRB (0.44) THRBRRM2MAOBPKMPOLB

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 6 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-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 THRB 1492/4885RRM2 2252/4885MAOB 2762/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 THRB 1866/4885RRM2 2715/4885MAOB 3093/4885

“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.