SCHEMBL5034751

SCHEMBL5034751

CCCN(C)C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 3/20 0.38
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TSPO P30536 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL5038953 0.94 CYP3A4 (0.46) CYP3A4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL5035888 0.93 CYP3A4 (0.45) CYP3A4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL14190164 0.92 CYP3A4 (0.45) CYP3A4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL5032541 0.92 CYP3A4 (0.52) CYP3A4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL5032616 0.90 KDM4E (0.41) CYP3A4KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5035876 0.90 CYP3A4 (0.50) CYP3A4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL5035199 0.89 CYP3A4 (0.39) CYP3A4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL5035128 0.88 C5AR1 (0.41) CYP3A4KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5035304 0.88 CYP3A4 (0.54) CYP3A4KMT2AMEN1CYP1A2CYP2D6
SCHEMBL5034860 0.87 CYP3A4 (0.47) CYP3A4KMT2AMEN1HTTSMN1; SMN2

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 CYP3A4 693/4885KMT2A 3489/4885MEN1 1563/4885

“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.