SCHEMBL5032533

SCHEMBL5032533

O=C(c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1)N1CCSCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPC3 Q13507 2/20 0.39
TRPC6 Q9Y210 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MGLL Q99685 1/20 0.38
SCN9A Q15858 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5032509 0.90 HPGD (0.42) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL27664672 0.89 HTR2C (0.56) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL5034664 0.89 KMT2A (0.47) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL27664665 0.88 KDM4E (0.40) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL27643396 0.88 KMT2A (0.48) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL27664673 0.86 NPC1 (0.41) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL5034842 0.85 HTR2C (0.46) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL5034980 0.82 KDM4E (0.47) ALDH1A1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL5035137 0.82 CYP3A4 (0.43) HTR2CALDH1A1HPGDHSD17B10NPC1
SCHEMBL5032552 0.82 NPC1 (0.45) HTR2CALDH1A1HPGDHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US 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 (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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 HTR2C 276/4885ALDH1A1 473/4885HPGD 1922/4885

“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.