SCHEMBL5034868

SCHEMBL5034868

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRB2 P47870 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 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
SCHEMBL5034952 0.89 CYP3A4 (0.46) CYP3A4KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL5034975 0.88 KDM4E (0.44) HTTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5032622 0.88 FLT1 (0.40) CYP3A4KDM4ETSHRNPC1RAB9A
SCHEMBL5034860 0.87 CYP3A4 (0.47) CYP3A4HTTKDM4ETSHRCASP1
SCHEMBL5036201 0.86 CYP3A4 (0.42) CYP3A4KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL5035304 0.85 CYP3A4 (0.54) CYP3A4HTTKDM4ESMN1; SMN2NPC1
SCHEMBL5036199 0.85 CYP3A4 (0.41) CYP3A4KDM4ETSHRNPC1RAB9A
SCHEMBL5034786 0.84 CYP3A4 (0.44) CYP3A4KDM4ENPC1RAB9AMAPT
SCHEMBL5032541 0.84 CYP3A4 (0.52) CYP3A4HTTKDM4ESMN1; SMN2NPC1
SCHEMBL5036060 0.83 CYP3A4 (0.43) CYP3A4KDM4ETSHRCASP1SMN1; 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 693/4885HTT 1466/4885KDM4E 3200/4885

“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.