SCHEMBL5035887

SCHEMBL5035887

NC(=O)CNC(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 3/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 3/20 0.35
TLR7 Q9NYK1 1/20 0.35
PTPRB P23467 1/20 0.35
IDH1 O75874 1/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL5036199 0.90 CYP3A4 (0.41) KDM4EKMT2AL3MBTL1RAB9AMAPT
SCHEMBL5038949 0.85 MAPT (0.40) KDM4EKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL5034975 0.85 KDM4E (0.44) KDM4EKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL5034980 0.82 KDM4E (0.47) KDM4EKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL5035889 0.81 KDM4E (0.43) KDM4EKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL5035146 0.80 FLT1 (0.39) KMT2AALDH1A1LMNANPSR1MAPT
Propylamine SCHEMBL6488547 0.79 KDM4E (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2NPSR1
Methylethylamine SCHEMBL6488540 0.79 KDM4E (0.43) KDM4EKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL5034815 0.79 KDM4E (0.43) KDM4EALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL5035190 0.78 MAPT (0.49) KDM4EKMT2AALDH1A1L3MBTL1RAB9A

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 3200/4885KMT2A 3489/4885ALDH1A1 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.