SCHEMBL14488263

SCHEMBL14488263

Clc1ccnc(-c2nsc(Cl)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
TGFBR1 P36897 2/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
MAPT P10636 5/20 0.34
GRM5 P41594 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 2/20 0.34
MITF O75030 1/20 0.34
TSHR P16473 1/20 0.34
TGFBR2 P37173 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP19A1 P11511 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 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
SCHEMBL23348867 0.78 CCR1 (0.47) CCR1CCR5CCR8TGFBR1NPC1
SCHEMBL3676621 0.76 KDM4E (0.55) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL827247 0.73 CCR1 (0.48) CCR1CCR5CCR8TGFBR1NPC1
SCHEMBL14488769 0.73 CASP3 (0.47) TGFBR1NPC1RAB9AGRM5SMN1; SMN2
SCHEMBL7016896 0.73 NPC1 (0.46) NPC1RAB9AGRM5PKMKDM4E
SCHEMBL14488293 0.73 NPC1 (0.45) NPC1RAB9ATP53
SCHEMBL14755762 0.71 MAPK14 (0.35) MAPTGRM5CYP19A1
SCHEMBL14488286 0.71 IDO1 (0.44) MAPTCYP19A1
SCHEMBL2538923 0.70 CCR1 (0.63) CCR1CCR5CCR8TGFBR1NPC1
SCHEMBL14488183 0.69 CYP19A1 (0.46) NPC1RAB9AMAPTGRM5SMN1; SMN2

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 CCR1 4723/4885CCR5 4665/4885CCR8 4813/4885

“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.