SCHEMBL5564648

SCHEMBL5564648

O=C(Cc1ccc(Cl)cc1)NCCCNc1ncc(C(=O)c2ccccc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 6/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
KMT2A Q03164 4/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
PRNP P04156 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL5565127 0.86 MAPK14 (0.46) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL5568898 0.85 MAPK14 (0.45) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL5568735 0.85 MAPK13 (0.45) NPC1RAB9AMAPTKMT2AMAPK13
SCHEMBL5568653 0.83 MAPK14 (0.41) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL5568787 0.82 RAB9A (0.41) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL5568758 0.78 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL5569447 0.77 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL5564235 0.77 NPC1 (0.60) NPC1RAB9AMAPTSMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL5568902 0.76 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL5569196 0.75 MAPK13 (0.58) NPC1RAB9AMAPTSMN1; SMN2NFKB1

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 393/4885RAB9A 801/4885MAPT 3615/4885

“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.