SCHEMBL5035139

SCHEMBL5035139

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
PYCR1 P32322 2/20 0.37
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGER1 P34995 1/20 0.33
RAB9A P51151 2/20 0.33
PCTP Q9UKL6 1/20 0.33
STARD10 Q9Y365 1/20 0.33
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL5032541 0.88 CYP3A4 (0.52) CYP3A4NPC1KDM4EPTGER1RAB9A
SCHEMBL5034751 0.86 CYP3A4 (0.47) CYP3A4NPC1KDM4EPTGER1RAB9A
SCHEMBL14190164 0.86 CYP3A4 (0.45) CYP3A4NPC1KDM4EPTGER1RAB9A
SCHEMBL5034860 0.86 CYP3A4 (0.47) CYP3A4NPC1KDM4EPTGER1RAB9A
SCHEMBL5041312 0.85 CYP3A4 (0.40) CYP3A4PYCR1NPC1KDM4ERAB9A
SCHEMBL5038953 0.85 CYP3A4 (0.46) CYP3A4NPC1RAB9A
SCHEMBL5035304 0.84 CYP3A4 (0.54) CYP3A4NPC1KDM4ERAB9AL3MBTL1
SCHEMBL5035888 0.84 CYP3A4 (0.45) CYP3A4NPC1THRB
SCHEMBL14190184 0.83 CYP3A4 (0.42) CYP3A4NPC1KDM4EPTGER1RAB9A
SCHEMBL5035128 0.82 C5AR1 (0.41) CYP3A4NPC1KDM4ETP53

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 693/4885PYCR1 683/4885NPC1 313/4885

“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.