SCHEMBL4331101

SCHEMBL4331101

CN(C)[C@@H]1CCN(c2cc(N3CCC(c4ccccc4C(F)(F)F)CC3)c(F)cc2/C=N/NC(N)=S)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
RBP4 P02753 10/20 0.36
EML4 Q9HC35 1/20 0.34
ALK Q9UM73 1/20 0.34
GRM2 Q14416 2/20 0.34
OPRL1 P41146 1/20 0.34
WDR5 P61964 1/20 0.34
PROKR1 Q8TCW9 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
SCHEMBL4331104 1.00 MAOB (0.37) MAOBRBP4EML4ALKGRM2
SCHEMBL4336711 0.91 MAOB (0.39) MAOBRBP4EML4ALKWDR5
SCHEMBL4336707 0.91 MAOB (0.39) MAOBRBP4EML4ALKWDR5
SCHEMBL4329221 0.89 MAOB (0.40) MAOBRBP4GRM2OPRL1
SCHEMBL4329225 0.89 MAOB (0.40) MAOBRBP4GRM2OPRL1
SCHEMBL4333914 0.88 MAOB (0.40) MAOB
SCHEMBL4333920 0.88 MAOB (0.40) MAOB
SCHEMBL13887109 0.87 MAPT (0.38) MAOB
SCHEMBL4329808 0.86 MAOB (0.40) MAOB
SCHEMBL4329807 0.86 MAOB (0.40) MAOB

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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 2762/4885RBP4 950/4885EML4 4060/4885

“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.