SCHEMBL3064103

SCHEMBL3064103

CC1CN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
SMO Q99835 5/20 0.36
F10 P00742 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.33
CXCR3 P49682 1/20 0.32
SLC6A7 Q99884 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL3052252 0.87 MEN1 (0.36) SMONPC1RAB9ASLC6A7NPSR1
SCHEMBL3063142 0.84 SMO (0.38) MGLLSMONPC1RAB9ASLC6A7
SCHEMBL3069078 0.82 TACR3 (0.40) SMONPC1RAB9ASLC6A7MEN1
SCHEMBL3062959 0.81 TACR3 (0.47)
SCHEMBL3056129 0.80 RAB9A (0.39) MGLLSMONPC1RAB9AMAPK1
SCHEMBL3046098 0.78 GRM5 (0.45) MGLLSMONPC1RAB9AMAPT
SCHEMBL3045813 0.78 ALDH1A1 (0.44) SMONPC1RAB9AKDM4EMEN1
SCHEMBL3052701 0.77 PDE4B (0.41)
SCHEMBL3060860 0.77 NAAA (0.34) SMONPC1RAB9A
SCHEMBL3055311 0.77 NAAA (0.35) SMONPC1RAB9A

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 MGLL 3668/4885SMO 1295/4885F10 4619/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885SMO 1295/4885F10 4619/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885SMO 1295/4885F10 4619/4885

“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.