SCHEMBL5032534

SCHEMBL5032534

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc(C(=O)N3CCCC3)cs2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2C P28335 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 1/20 0.38
KLF5 Q13887 1/20 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
SCHEMBL27643379 0.93 ALDH1A1 (0.42) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL27664673 0.93 NPC1 (0.41) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL27643378 0.92 HTR2C (0.49) NPC1RAB9AHPGDHTR2CKMT2A
SCHEMBL27664741 0.92 HTR2C (0.47) HTR2CPOLB
SCHEMBL5035125 0.90 KMT2A (0.43) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL27643397 0.90 POLB (0.44) NPC1RAB9AALDH1A1L3MBTL1KMT2A
SCHEMBL27664669 0.90 POLB (0.44) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5035129 0.87 TRPC3 (0.40) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL5032563 0.86 ALDH1A1 (0.47) HPGDALDH1A1SMN1; SMN2POLBCES2
SCHEMBL5034712 0.85 KMT2A (0.40) NPC1RAB9AHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
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
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 NPC1 313/4885RAB9A 1847/4885HPGD 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.