SCHEMBL14488484

SCHEMBL14488484

Fc1cc(Cl)ccc1-c1nsc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMO O15229 2/20 0.39
GRM2 Q14416 4/20 0.37
BCHE P06276 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
HSD11B1 P28845 1/20 0.34
DPP4 P27487 1/20 0.34
AMY1A P0DUB6 1/20 0.33
EIF4E P06730 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CLK1 P49759 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
SCHEMBL3767872 0.79 NPC1 (0.41) NPC1RAB9A
SCHEMBL4255751 0.77 ALOX15 (0.43) NPC1RAB9AKMODPP4
SCHEMBL3263453 0.75 KDM4E (0.37) NPC1RAB9ABCHE
SCHEMBL23638850 0.72 S100A4 (0.46) KMOGRM2EGLN2HSD11B1
SCHEMBL30598347 0.72 S100A4 (0.46) KMOGRM2EGLN2HSD11B1
SCHEMBL25205786 0.71 NPC1 (0.46) NPC1RAB9AKMOGRM2EGLN2
SCHEMBL9566507 0.71 HTR2B (0.62) NPC1RAB9AKMOGRM2DPP4
SCHEMBL15364221 0.71 ALOX15 (0.43) NPC1RAB9ABCHE
SCHEMBL14488279 0.71 AR (0.43) AMY1ACYP1B1
SCHEMBL1219538 0.70 NPC1 (0.53) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 US disclosed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 EP disclosed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 US disclosed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP disclosed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 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 (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-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases MAPT, PSEN1, PSEN2 NPC1 389/4885RAB9A 2796/4885KMO 2840/4885

“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.