SCHEMBL5568787

SCHEMBL5568787

Cc1nccnc1C(=O)c1cnc(NCCCNC(=O)Cc2ccc(Cl)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
PRNP P04156 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
FFAR2 O15552 1/20 0.38
P2RY2 P41231 2/20 0.38

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
SCHEMBL5568653 0.89 MAPK14 (0.41) RAB9ASMN1; SMN2NPC1PRNPTP53
SCHEMBL5565127 0.83 MAPK14 (0.46) RAB9ASMN1; SMN2NPC1PRNPKMT2A
SCHEMBL5564648 0.82 NPC1 (0.54) RAB9ASMN1; SMN2NPC1PRNPKMT2A
SCHEMBL5568898 0.80 MAPK14 (0.45) RAB9ASMN1; SMN2NPC1PRNPKMT2A
SCHEMBL5568735 0.78 MAPK13 (0.45) RAB9ANPC1KMT2AMAPT
SCHEMBL5567869 0.77 MAPK14 (0.38) RAB9ASMN1; SMN2NPC1PRNP
SCHEMBL5564135 0.76 KMT2A (0.43) SMN1; SMN2KMT2AALDH1A1MEN1MAPT
SCHEMBL5569959 0.74 MEN1 (0.42) TP53KMT2AALDH1A1MEN1GAA
SCHEMBL5568609 0.74 RAB9A (0.49) RAB9ASMN1; SMN2NPC1PRNPKMT2A
SCHEMBL5564361 0.74 EPHX2 (0.42)

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 RAB9A 801/4885SMN1; SMN2 2375/4885NPC1 393/4885

“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.