SCHEMBL4452426

SCHEMBL4452426

CN(C)[C@@H]1CCN(c2cc(N3CCC(C(F)(F)F)CC3)c(F)cc2C=NNC(N)=S)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
LMNA P02545 2/20 0.33
MAOA P21397 1/20 0.33
WDR5 P61964 1/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
MAPK1 P28482 1/20 0.31
EML4 Q9HC35 1/20 0.31

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
SCHEMBL4452425 1.00 MAOB (0.35) MAOBALDH1A1MAPTKMT2AMEN1
SCHEMBL4336707 0.87 MAOB (0.39) MAOBMAPTL3MBTL1GAALCK
SCHEMBL4336711 0.87 MAOB (0.39) MAOBMAPTL3MBTL1GAALCK
SCHEMBL4336852 0.87 ALDH1A1 (0.41) MAOBALDH1A1MAPTKMT2ALCK
SCHEMBL4336854 0.87 ALDH1A1 (0.41) MAOBALDH1A1MAPTKMT2ALCK
SCHEMBL4327449 0.86 MAOB (0.44) MAOBALDH1A1MAPTKMT2AMEN1
SCHEMBL4327443 0.86 MAOB (0.44) MAOBALDH1A1MAPTKMT2AMEN1
SCHEMBL4329395 0.86 ALDH1A1 (0.40) MAOBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4329391 0.86 ALDH1A1 (0.40) MAOBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4329268 0.86 WDR5 (0.37) MAOBALDH1A1MAPTKMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885ALDH1A1 1173/4885MAPT 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.