SCHEMBL5034848

SCHEMBL5034848

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2ncc(C(=O)N3CCCC3C)s2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
LRRK2 Q5S007 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
EPHX2 P34913 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5034720 0.90 HSD11B1 (0.46) HSD11B1SMN1; SMN2GRM5ALDH1A1POLB
SCHEMBL5034737 0.89 DPP4 (0.43) GRM5
SCHEMBL5034739 0.89 DPP4 (0.43) GRM5
SCHEMBL14190191 0.89 DPP4 (0.43) GRM5
SCHEMBL5035256 0.88 KMT2A (0.41) MEN1KMT2AGRM5ALDH1A1HPGD
SCHEMBL5034894 0.87 RAB9A (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5032584 0.86 HCRTR1 (0.41) HSD11B1LRRK2SMN1; SMN2ALDH1A1HCRTR1
SCHEMBL5035140 0.85 HSD11B1 (0.41) HSD11B1LRRK2SMN1; SMN2ALDH1A1HCRTR1
SCHEMBL5036600 0.84 HPGD (0.43) LRRK2MEN1KMT2ASMN1; SMN2POLB
SCHEMBL5035234 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDRAB9A

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 HSD11B1 798/4885LRRK2 2028/4885MEN1 1563/4885

“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.