SCHEMBL4336325

SCHEMBL4336325

CN(C)[C@@H]1CCN(c2cc(N3CCN(c4cccc(F)c4)CC3)c(F)cc2/C=N/NC(N)=S)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
NPY5R Q15761 1/20 0.38
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
ALOX12 P18054 3/20 0.36
GAA P10253 2/20 0.36
BPTF Q12830 1/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MPI P34949 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NSD2 O96028 1/20 0.34
SETD2 Q9BYW2 1/20 0.34
KMT2A Q03164 2/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL4326941 1.00 MAOB (0.41) MAOBNPY5RMAPTALDH1A1ALOX12
SCHEMBL4457794 0.93 ALDH1A1 (0.46) MAOBNPY5RMAPTALDH1A1ALOX12
SCHEMBL4457797 0.93 ALDH1A1 (0.46) MAOBNPY5RMAPTALDH1A1ALOX12
SCHEMBL4331695 0.92 MAOB (0.41) MAOBMAPTALDH1A1ALOX12GAA
SCHEMBL4331693 0.92 MAOB (0.41) MAOBMAPTALDH1A1ALOX12GAA
SCHEMBL4331472 0.92 ALDH1A1 (0.46) MAOBNPY5RMAPTALDH1A1ALOX12
SCHEMBL4331312 0.92 ALDH1A1 (0.46) MAOBNPY5RMAPTALDH1A1ALOX12
SCHEMBL4331468 0.92 ALDH1A1 (0.46) MAOBNPY5RMAPTALDH1A1ALOX12
SCHEMBL4331309 0.92 ALDH1A1 (0.46) MAOBNPY5RMAPTALDH1A1ALOX12
SCHEMBL4456916 0.91 LMNA (0.44) MAPTALOX12LMNASMN1; SMN2NPSR1

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 MAOB 2762/4885NPY5R 4783/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885NPY5R 4635/4885MAPT 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.