SCHEMBL5570000

SCHEMBL5570000

CCc1ccccc1C(=O)c1sc(NCCCN)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.48
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK9 P50750 1/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
RAB9A P51151 10/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 7/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5569998 0.86 NPC1 (0.48) NPC1CLK2GSK3AGSK3BCDK9
SCHEMBL27677959 0.86 NPC1 (0.50) NPC1CLK2GSK3AGSK3BCDK9
SCHEMBL14421814 0.84 NPC1 (0.48) NPC1CLK2GSK3AGSK3BCDK9
Hydrochloric Acid SCHEMBL5564131 0.83 NPC1 (0.47) NPC1CLK2GSK3AGSK3BCDK9
SCHEMBL5564500 0.81 LCK (0.43) NPC1CLK2GSK3AGSK3BCDK9
SCHEMBL14421756 0.79 NPY5R (0.45) NPC1KMT2AALDH1A1MAPTTP53
SCHEMBL14421688 0.79 SCN1A (0.43) NPC1ALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL5564247 0.78 MAPK14 (0.43) NPC1RAB9A
SCHEMBL27614967 0.78 NPC1 (0.40) NPC1CLK2GSK3AGSK3BCDK9
SCHEMBL27614994 0.77 SMN1; SMN2 (0.43) NPC1CLK2GSK3AGSK3BCDK9

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
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 EP disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 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-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 NPC1 393/4885CLK2 4484/4885GSK3A 1893/4885

“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.