SCHEMBL1072002

SCHEMBL1072002

N#CC1(c2ccc(F)cc2Cl)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
MAP4K4 O95819 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.34
P2RX7 Q99572 2/20 0.34
HSD11B1 P28845 1/20 0.33
HDAC4 P56524 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 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
SCHEMBL1021621 0.98 PSEN1 (0.37) SLC6A4SLC6A3MAP4K4HDAC6HDAC3
SCHEMBL31441149 0.98 PSEN1 (0.37) SLC6A4SLC6A3MAP4K4HDAC6HDAC3
SCHEMBL18742631 0.97 SLC6A4 (0.36) SLC6A4SLC6A3MAP4K4HDAC6HDAC3
SCHEMBL31459802 0.93 HDAC6 (0.36) SLC6A4SLC6A3HDAC6HDAC3HDAC1
SCHEMBL20315404 0.93 HDAC6 (0.36) SLC6A4SLC6A3HDAC6HDAC3HDAC1
SCHEMBL18742587 0.83 SLC6A4 (0.39) SLC6A4SLC6A3MAP4K4HDAC6PSEN1
SCHEMBL11468178 0.83 SLC6A4 (0.50) SLC6A4SLC6A3MAP4K4ALDH1A1OPRM1
SCHEMBL8184370 0.81 SLC6A4 (0.53) SLC6A4SLC6A3MAP4K4ALDH1A1OPRM1
SCHEMBL18742523 0.81 BACE1 (0.38) HDAC6HDAC3HDAC1HDAC2PSEN1
SCHEMBL31459463 0.79 OPRM1 (0.39) SLC6A4SLC6A3HDAC6PSEN1PSEN2

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 10 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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 (4 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 SLC6A4 646/4885SLC6A3 42/4885MAP4K4 1512/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SLC6A4 646/4885SLC6A3 42/4885MAP4K4 1512/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SLC6A4 646/4885SLC6A3 42/4885MAP4K4 1512/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP SLC6A4 3714/4885SLC6A3 476/4885MAP4K4 1707/4885

“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.