SCHEMBL5034680

SCHEMBL5034680

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)NCc3ccccc3C)cs2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
ANO2 Q9NQ90 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL5034854 0.90 HPGD (0.45) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL5041390 0.88 KMT2A (0.42) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL5032635 0.86 FLT1 (0.40) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL5035146 0.86 FLT1 (0.39) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL5035133 0.82 HPGD (0.47) MAPTHTTNPSR1KMT2AMEN1
SCHEMBL5032622 0.82 FLT1 (0.40) MAPTKMT2AMEN1CYP3A4TSHR
SCHEMBL5032527 0.82 ALDH1A1 (0.46) MAPTKMT2AMEN1CYP3A4TSHR
SCHEMBL5035872 0.81 LMNA (0.48) MAPTNPSR1CYP3A4TSHRHPGD
SCHEMBL5034722 0.81 CYP3A4 (0.44) MAPTHTTNPSR1CYP3A4TSHR
SCHEMBL5032525 0.81 CRHR1 (0.39) MAPTHTTNPSR1KMT2AMEN1

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 MAPT 3183/4885HTT 1466/4885NPSR1 39/4885

“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.