SCHEMBL5034980

SCHEMBL5034980

O=C(O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
PTGER1 P34995 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PTPRB P23467 1/20 0.37
MAPT P10636 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DHODH Q02127 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL5035889 0.92 KDM4E (0.43) KDM4EPTGER1POLBALDH1A1TP53
Methylethylamine SCHEMBL6488540 0.92 KDM4E (0.43) KDM4EPTGER1POLBALDH1A1TP53
Propylamine SCHEMBL6488547 0.92 KDM4E (0.46) KDM4EPTGER1POLBALDH1A1TP53
SCHEMBL5034975 0.89 KDM4E (0.44) KDM4EPOLBALDH1A1TP53NPSR1
SCHEMBL5034952 0.88 CYP3A4 (0.46) KDM4EPTGER1SMN1; SMN2RAB9AMEN1
SCHEMBL5032520 0.88 LMNA (0.47) KDM4EPTGER1POLBALDH1A1NPSR1
SCHEMBL5032539 0.85 KDM4E (0.43) KDM4EPOLBALDH1A1NPSR1SMN1; SMN2
SCHEMBL5034815 0.85 KDM4E (0.43) KDM4EPOLBALDH1A1TP53NPSR1
SCHEMBL5038951 0.85 KDM4E (0.43) KDM4EPOLBALDH1A1TP53NPSR1
SCHEMBL5035190 0.84 MAPT (0.49) KDM4EALDH1A1NPSR1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN claimed
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
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN 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
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN 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
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN 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 KDM4E 3200/4885PTGER1 237/4885POLB 4797/4885

“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.