SCHEMBL3067535

SCHEMBL3067535

CC1CN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
SCN4A P35499 1/20 0.36
PIN1 Q13526 1/20 0.36
LTA4H P09960 1/20 0.35
SRD5A2 P31213 1/20 0.34
CSNK1E P49674 1/20 0.34
REN P00797 1/20 0.34
IGFBP3 P17936 1/20 0.33
KHK P50053 2/20 0.33
FGFR1 P11362 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MAPT P10636 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
USP2 O75604 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HRH3 Q9Y5N1 1/20 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
SCHEMBL3053528 0.85 SCN9A (0.50) SCN9ASCN4ALTA4HSRD5A2IGFBP3
SCHEMBL3059798 0.82 SCN9A (0.47) SCN9ASCN4ALTA4HSRD5A2IGFBP3
SCHEMBL3069078 0.76 TACR3 (0.40) SRD5A2MEN1KMT2A
SCHEMBL3063142 0.75 SMO (0.38) SRD5A2MEN1KMT2A
SCHEMBL3046098 0.74 GRM5 (0.45) MAPTMEN1KMT2A
SCHEMBL3055311 0.74 NAAA (0.35) IGFBP3
SCHEMBL3055314 0.74 NAAA (0.37) MAPTMEN1KMT2A
SCHEMBL3054861 0.74 MAPT (0.36) SRD5A2IGFBP3MAPTMEN1KMT2A
SCHEMBL3060860 0.73 NAAA (0.34)
SCHEMBL3060854 0.73 MAPT (0.36) SRD5A2IGFBP3MAPTUSP2HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN4A 2260/4885PIN1 1241/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN4A 2260/4885PIN1 1241/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN4A 2260/4885PIN1 1241/4885

“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.