SCHEMBL3073391

SCHEMBL3073391

c1ccc(CSc2ncc(CN3CCOCC3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 4/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL13143624 0.80 SMN1; SMN2 (0.49) ALDH1A1CYP3A4CYP2C19SMN1; SMN2GAA
SCHEMBL11388939 0.77 SMN1; SMN2 (0.56) ALDH1A1CYP3A4CYP2C19SMN1; SMN2GAA
SCHEMBL3082339 0.75 LMNA (0.47) ALDH1A1SMN1; SMN2GAALMNAKMT2A
SCHEMBL3084837 0.75 LMNA (0.43) ALDH1A1SMN1; SMN2GAALMNAKMT2A
SCHEMBL1658169 0.70 SMN1; SMN2 (0.52) ALDH1A1CYP3A4CYP2C19SMN1; SMN2GAA
SCHEMBL102338 0.70 SIGMAR1 (0.71) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL6200777 0.70 SIGMAR1 (0.71) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL4590541 0.70 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C19SMN1; SMN2GAA
SCHEMBL28975291 0.70 NPC1 (0.59) ALDH1A1CYP3A4CYP2C19SMN1; SMN2GAA
SCHEMBL27174954 0.69 LMNA (0.42) ALDH1A1CYP3A4SMN1; SMN2GAALMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795442-B2 Preparation of thiazoles SYNGENTA CROP PROTECTION, INC. (US) 2010-09-14 US disclosed
US-20090198054-A1 PREPARATION OF THIAZOLES SYNGENTA CROP PROTECTION, INC. (US) 2009-08-06 US disclosed
US-7538229-B2 Preparation of thiazoles SYNGENTA CROP PROTECTION, INC. (US) 2009-05-26 US disclosed
US-20080076920-A1 PREPARATION OF THIAZOLES SYNGENTA CROP PROTECTION, INC. (US) 2008-03-27 US disclosed
US-7323564-B2 Preparation of thiazoles SYNGENTA CROP PROTECTION, INC. (US) 2008-01-29 US disclosed
US-20070055063-A1 PREPARATION OF THIAZOLES SYNGENTA CROP PROTECTION, INC. (US) 2007-03-08 US disclosed
US-7161011-B2 Reactin a thiazole compound with glycidyl aldehyde SYNGENTA CROP PROTECTION, INC. (US) 2007-01-09 US disclosed
EP-1201662-B1 Preparation of thiazoles SYNGENTA PARTICIPATIONS AG (CH) 2005-10-26 EP disclosed
EP-1577307-A2 Preparation of thiazoles Syngenta Participations AG (CH) 2005-09-21 EP disclosed
US-20030216579-A1 Preparation of thiazoles PITTERNA THOMAS (CH) 2003-11-20 US disclosed
US-6548676-B1 Halogenation or sulfonylation of 5-methylol-2-sulfanyl-thiazole derivatives; separation, salt formation SYNGENTA CROP PROTECTION, INC. 2003-04-15 US disclosed
EP-0946532-B1 PREPARATION OF THIAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2002-07-17 EP disclosed
EP-1201662-A1 Preparation of thiazoles Syngenta Participations AG (CH) 2002-05-02 EP disclosed
EP-0946532-A1 PREPARATION OF THIAZOLES Novartis AG (CH) 1999-10-06 EP disclosed
WO-1998027075-A1 PREPARATION OF THIAZOLES NOVARTIS AG (CH) 1998-06-25 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 (4 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-20080076920-A1 PREPARATION OF THIAZOLES OXSR1, OSR1, OSBPL3 ALDH1A1 4350/4885CYP3A4 2397/4885CYP2C19 2900/4885
US-20070055063-A1 PREPARATION OF THIAZOLES SLC5A1, TST, TCOF1 ALDH1A1 1685/4885CYP3A4 512/4885CYP2C19 801/4885
US-20090198054-A1 PREPARATION OF THIAZOLES OXSR1, OSR1, OSBPL3 ALDH1A1 4350/4885CYP3A4 2397/4885CYP2C19 2900/4885
US-20030216579-A1 Preparation of thiazoles CBR1, CBR3, SULT1A1 ALDH1A1 287/4885CYP3A4 137/4885CYP2C19 581/4885

“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.