SCHEMBL5032531

SCHEMBL5032531

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
GPBAR1 Q8TDU6 3/20 0.39
MAPT P10636 2/20 0.38
DHODH Q02127 2/20 0.38
CYP3A4 P08684 1/20 0.37
POLB P06746 2/20 0.36
TSPO P30536 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA2 P47869 1/20 0.35
GABRB2 P47870 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
SCHEMBL5032555 0.93 ALDH1A1 (0.44) KDM4ETP53ALDH1A1HTTNPSR1
SCHEMBL5035874 0.92 KDM4E (0.40) KDM4ETP53ALDH1A1HTTNPSR1
SCHEMBL5032616 0.90 KDM4E (0.41) KDM4ETP53ALDH1A1HTTNPSR1
SCHEMBL5035876 0.90 CYP3A4 (0.50) ALDH1A1HTTNPSR1SMN1; SMN2RAB9A
SCHEMBL5034815 0.88 KDM4E (0.43) KDM4ETP53ALDH1A1HTTNPSR1
SCHEMBL5035132 0.86 KDM4E (0.45) KDM4ETP53ALDH1A1HTTNPSR1
Propylamine SCHEMBL6488547 0.84 KDM4E (0.46) KDM4ETP53ALDH1A1HTTNPSR1
SCHEMBL5035304 0.83 CYP3A4 (0.54) KDM4EALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL5486463 0.83 CYP3A4 (0.49) KDM4EALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5034980 0.83 KDM4E (0.47) KDM4ETP53ALDH1A1HTTNPSR1

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 KDM4E 3200/4885TP53 4500/4885ALDH1A1 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.