SCHEMBL14488286

SCHEMBL14488286

Clc1cc(-c2nsc(Cl)n2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 2/20 0.41
CYP19A1 P11511 2/20 0.39
MAPT P10636 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
RECQL P46063 1/20 0.35
LOX P28300 1/20 0.35
LOXL3 P58215 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
SNCA P37840 1/20 0.34

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
SCHEMBL23348686 0.78 IDO1 (0.53) IDO1S1PR1S1PR3CYP19A1ADORA2A
SCHEMBL3761164 0.77 MAPT (0.62) CYP19A1MAPTADORA2AADORA1
SCHEMBL4027001 0.73 IDO1 (0.55) IDO1S1PR1S1PR3CYP19A1ADORA2A
SCHEMBL14488183 0.73 CYP19A1 (0.46) IDO1CYP19A1MAPT
SCHEMBL14755613 0.73 CYP19A1 (0.39) S1PR1S1PR3CYP19A1MAPTADORA2A
SCHEMBL31447381 0.72 IDO1 (0.52) IDO1S1PR1S1PR3CYP19A1ADORA2A
SCHEMBL3766081 0.72 CYP1A2 (0.38) MAPTADORA2AADORA1
SCHEMBL14488263 0.71 CCR1 (0.38) CYP19A1MAPT
SCHEMBL14488282 0.71 ALDH1A1 (0.38) CYP19A1MAPTADORA2AADORA1SNCA
SCHEMBL1219538 0.71 NPC1 (0.53) CYP19A1MAPTADORA2AADORA1

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 IDO1 2283/4885S1PR1 3709/4885S1PR3 3874/4885

“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.