SCHEMBL4327749

SCHEMBL4327749

NC(=S)N/N=C/c1cc(F)c(N2CC[C@H](NCc3ccccc3)C2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
BCHE P06276 8/20 0.41
ACHE P22303 8/20 0.41
BACE1 P56817 8/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
AKT1 P31749 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4327756 1.00 MAOB (0.44) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4329139 1.00 MAOB (0.44) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4322290 1.00 MAOB (0.44) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4324180 0.95 MAOB (0.45) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4324178 0.95 MAOB (0.45) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4329387 0.93 BCHE (0.41) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4331381 0.93 BCHE (0.41) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4331380 0.93 BCHE (0.41) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL4329393 0.93 BCHE (0.41) MAOBTMEM97SIGMAR1BCHEACHE
SCHEMBL13611881 0.92 TMEM97 (0.46) MAOBTMEM97SIGMAR1BCHEACHE

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 MAOB 2762/4885TMEM97 784/4885SIGMAR1 948/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885TMEM97 720/4885SIGMAR1 776/4885

“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.