SCHEMBL5034894

SCHEMBL5034894

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2ncc(C(=O)N3CCCC(O)C3)s2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PROKR1 Q8TCW9 1/20 0.37
PDE2A O00408 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
GRM3 Q14832 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
SCHEMBL27664666 0.92 POLB (0.44) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL5035256 0.91 KMT2A (0.41) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL5034848 0.87 HSD11B1 (0.41) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL14190192 0.86 RAB9A (0.39) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL5034741 0.86 RAB9A (0.39) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL5034740 0.86 RAB9A (0.39) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL5036600 0.85 HPGD (0.43) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL5032473 0.85 RAB9A (0.42) RAB9ANPC1ALDH1A1GAAKMT2A
SCHEMBL14190191 0.84 DPP4 (0.43)
SCHEMBL5034739 0.84 DPP4 (0.43)

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 11 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
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US 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 RAB9A 1847/4885NPC1 313/4885ALDH1A1 473/4885

“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.