SCHEMBL4331046

SCHEMBL4331046

NC(=S)NN=Cc1cc(F)c(N2CCN(CCc3ccccc3)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HCRTR1 O43613 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 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
SCHEMBL4331045 1.00 MAOB (0.46) MAOBALDH1A1GAAL3MBTL1HTR1A
SCHEMBL4325307 0.90 L3MBTL1 (0.52) MAOBALDH1A1GAAL3MBTL1KMT2A
SCHEMBL4325311 0.90 L3MBTL1 (0.52) MAOBALDH1A1GAAL3MBTL1KMT2A
SCHEMBL4329189 0.87 ADRA1D (0.45) MAOBADRA1DADRA1AADRA1BKDM4E
SCHEMBL4329185 0.87 ADRA1D (0.45) MAOBADRA1DADRA1AADRA1BKDM4E
SCHEMBL4331055 0.86 L3MBTL1 (0.48) MAOBALDH1A1GAAL3MBTL1KMT2A
SCHEMBL4331060 0.86 L3MBTL1 (0.48) MAOBALDH1A1GAAL3MBTL1KMT2A
SCHEMBL4326677 0.86 MAOB (0.44) MAOBALDH1A1GAAL3MBTL1HTR1A
SCHEMBL4326678 0.86 MAOB (0.44) MAOBALDH1A1GAAL3MBTL1HTR1A
SCHEMBL4328894 0.84 MAOB (0.43) MAOBALDH1A1GAAL3MBTL1KMT2A

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 3 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-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 MAOB 2762/4885ALDH1A1 1459/4885GAA 2113/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885ALDH1A1 1173/4885GAA 2263/4885

“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.