SCHEMBL5032530

SCHEMBL5032530

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CCOCC3)c(C)s2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CFTR P13569 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PRKCZ Q05513 1/20 0.37

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
SCHEMBL5032654 0.95 HTR2C (0.43) HTR2CNPC1MAPTL3MBTL1HPGD
SCHEMBL5035881 0.93 KMT2A (0.39) NPC1MAPTHPGDMCOLN3ALDH1A1
SCHEMBL5032532 0.91 NPC1 (0.37) NPC1MAPTKDM4EALDH1A1KMT2A
SCHEMBL27664670 0.91 HTR2C (0.47) HTR2CNPC1MAPTHPGDNPSR1
SCHEMBL5035027 0.90 HTR2C (0.48) HTR2CNPC1MAPTL3MBTL1HPGD
SCHEMBL5035249 0.88 LMNA (0.38) NPC1MAPTMCOLN3KMT2ARAB9A
SCHEMBL5032649 0.87 ALDH1A1 (0.48) NPC1MAPTL3MBTL1HPGDPOLB
SCHEMBL5034690 0.87 CNR1 (0.40) NPC1KDM4EALDH1A1KMT2ARAB9A
SCHEMBL5036600 0.85 HPGD (0.43) NPC1MAPTL3MBTL1HPGDPOLB
SCHEMBL5032565 0.85 NPC1 (0.45) HTR2CNPC1MAPTL3MBTL1HPGD

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 HTR2C 276/4885NPC1 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.