SCHEMBL5035942

SCHEMBL5035942

CCN(C)C(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
BCHE P06276 1/20 0.37
TP53 P04637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
HCRTR2 O43614 3/20 0.35
HCRTR1 O43613 2/20 0.35
DHODH Q02127 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL5041129 0.90 CYP3A4 (0.41) NPSR1GPBAR1MEN1KMT2ANPC1
SCHEMBL5032539 0.87 KDM4E (0.43) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5034815 0.87 KDM4E (0.43) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5032598 0.81 RAB9A (0.44) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5032616 0.79 KDM4E (0.41) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5032603 0.79 LIPE (0.41) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL6488544 0.78 ALDH1A1 (0.42) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5035132 0.78 KDM4E (0.45) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5034675 0.77 LIPE (0.43) RAB9AALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL5034677 0.77 LIPE (0.43) RAB9AALDH1A1HTTNPSR1SMN1; 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 RAB9A 1847/4885ALDH1A1 473/4885HTT 1466/4885

“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.