SCHEMBL4339922

SCHEMBL4339922

CN(C)[C@@H]1CCN(c2cc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)c(F)cc2C=NNC(N)=S)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
GRM2 Q14416 3/20 0.36
LCK P06239 2/20 0.35
KDR P35968 2/20 0.35
TEK Q02763 2/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GALR3 O60755 1/20 0.34
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
DRD4 P21917 1/20 0.33
CCR2 P41597 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
HTR2C P28335 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
SCHEMBL4339921 1.00 DRD2 (0.37) DRD2GRM2LCKKDRTEK
SCHEMBL4329391 0.91 ALDH1A1 (0.40) LCKKDRTEKMAOBALDH1A1
SCHEMBL4329395 0.91 ALDH1A1 (0.40) LCKKDRTEKMAOBALDH1A1
SCHEMBL4331058 0.91 MAOB (0.40) GRM2MAOBALDH1A1LMNADRD4
SCHEMBL4331051 0.91 MAOB (0.40) GRM2MAOBALDH1A1LMNADRD4
SCHEMBL13612364 0.91 ALDH1A1 (0.39) MAOBALDH1A1LMNADRD4
SCHEMBL4333914 0.90 MAOB (0.40) MAOBALDH1A1LMNA
SCHEMBL4333920 0.90 MAOB (0.40) MAOBALDH1A1LMNA
SCHEMBL4330369 0.90 ALDH1A1 (0.40) MAOBALDH1A1LMNA
SCHEMBL4456916 0.90 LMNA (0.44) LMNA

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 DRD2 3561/4885GRM2 2613/4885LCK 878/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 DRD2 3440/4885GRM2 2537/4885LCK 820/4885

“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.