SCHEMBL13611757

SCHEMBL13611757

CC(=S)N/N=C/c1cc(F)c(N2CCC(c3cccc(F)c3)CC2)cc1N1CC[C@@H](N(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.35
CHEK2 O96017 3/20 0.34
GRM2 Q14416 2/20 0.34
KCNQ2 O43526 1/20 0.34
MCHR1 Q99705 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MLYCD O95822 1/20 0.33
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
DRD4 P21917 1/20 0.33
NPY5R Q15761 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL4331051 0.93 MAOB (0.40) MAP1LC3BCHEK2GRM2KCNQ2MCHR1
SCHEMBL4331058 0.93 MAOB (0.40) MAP1LC3BCHEK2GRM2KCNQ2MCHR1
SCHEMBL13612364 0.85 ALDH1A1 (0.39) MAP1LC3BMCHR1PIM1PIM3PIM2
SCHEMBL4333914 0.85 MAOB (0.40) CHEK2MCHR1PIM1PIM3PIM2
SCHEMBL4333920 0.85 MAOB (0.40) CHEK2MCHR1PIM1PIM3PIM2
SCHEMBL4330369 0.85 ALDH1A1 (0.40) MAP1LC3BMCHR1ALDH1A1FPR1FPR2
SCHEMBL4326223 0.85 ALDH1A1 (0.40) MAP1LC3BMCHR1ALDH1A1FPR1FPR2
SCHEMBL4339921 0.84 DRD2 (0.37) GRM2ALDH1A1DRD4HTR2C
SCHEMBL4339922 0.84 DRD2 (0.37) GRM2ALDH1A1DRD4HTR2C
SCHEMBL4336325 0.83 MAOB (0.41) CHEK2ALDH1A1FPR1FPR2NPY5R

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-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

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 MAP1LC3B 1318/4885CHEK2 3901/4885GRM2 2613/4885

“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.