SCHEMBL4331695

SCHEMBL4331695

CN(C)[C@@H]1CCN(c2cc(N3CCN(c4ccccc4)CC3)c(F)cc2C=NNC(N)=S)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
ALOX12 P18054 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MCHR1 Q99705 3/20 0.36
MYC P01106 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 3/20 0.35
WDR5 P61964 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL4331693 1.00 MAOB (0.41) MAOBNPSR1MAPTALDH1A1GAA
SCHEMBL4329268 0.93 WDR5 (0.37) MAOBMAPTALDH1A1GAAALOX12
SCHEMBL4329273 0.93 WDR5 (0.37) MAOBMAPTALDH1A1GAAALOX12
SCHEMBL4326941 0.92 MAOB (0.41) MAOBNPSR1MAPTALDH1A1GAA
SCHEMBL4336325 0.92 MAOB (0.41) MAOBNPSR1MAPTALDH1A1GAA
SCHEMBL13894911 0.92 FPR1 (0.36) MAOBMAPTALDH1A1GAAALOX12
SCHEMBL4327449 0.92 MAOB (0.44) MAOBNPSR1MAPTALDH1A1GAA
SCHEMBL4327443 0.92 MAOB (0.44) MAOBNPSR1MAPTALDH1A1GAA
SCHEMBL4457797 0.92 ALDH1A1 (0.46) MAOBNPSR1MAPTALDH1A1GAA
SCHEMBL4457794 0.92 ALDH1A1 (0.46) MAOBNPSR1MAPTALDH1A1GAA

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 2762/4885NPSR1 4026/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885NPSR1 3492/4885MAPT 3876/4885

“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.