SCHEMBL3629901

SCHEMBL3629901

O=C(O)c1cnc(Nc2ccc(Cl)cc2)s1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
MAPT P10636 1/20 0.68
MAPK14 Q16539 9/20 0.65
MAPK13 O15264 8/20 0.65
MAPK12 P53778 8/20 0.65
MAPK11 Q15759 8/20 0.65
SMN1; SMN2 Q16637 4/20 0.56
FFAR2 O15552 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PRNP P04156 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL4252563 0.85 MAPK14 (0.74) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL525976 0.82 KDR (0.58) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL5633659 0.79 MAPK13 (1.00) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL5035841 0.79 MAPK13 (0.56) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL4250360 0.79 RAB9A (0.57) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL5634460 0.77 MAPK13 (0.78) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL10188921 0.77 MAPT (0.59) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL5038697 0.77 MAPK13 (0.52) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL4250552 0.76 KDR (0.59) RAB9ANPC1MAPTMAPK14MAPK13
SCHEMBL509502 0.76 NPC1 (0.57) RAB9ANPC1MAPTMAPK14MAPK13

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 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 (2 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 3471/4885NPC1 190/4885MAPT 995/4885
US-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 RAB9A 1847/4885NPC1 313/4885MAPT 3183/4885

“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.