SCHEMBL2864181

SCHEMBL2864181

CC(C)(C)c1ccc(-n2ccsc2=NC(=O)N2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR6 P46095 1/20 0.34
YEATS4 O95619 1/20 0.34
MITF O75030 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2864177 1.00 SMN1; SMN2 (0.41) SMN1; SMN2HTTMAPTNPC1RAB9A
SCHEMBL2863295 0.86 ALDH1A1 (0.40) SMN1; SMN2HTTMAPTNPC1RAB9A
SCHEMBL2863300 0.86 ALDH1A1 (0.40) SMN1; SMN2HTTMAPTNPC1RAB9A
SCHEMBL2870009 0.86 HPGD (0.42) NPC1HPGDMEN1KMT2AGPR6
SCHEMBL2870012 0.86 HPGD (0.42) NPC1HPGDMEN1KMT2AGPR6
SCHEMBL2863400 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTMAPTNPC1RAB9A
SCHEMBL2863396 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTMAPTNPC1RAB9A
SCHEMBL2871550 0.84 RAB9A (0.39) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL2871553 0.84 RAB9A (0.39) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL2871707 0.84 NPC1 (0.38) SMN1; SMN2HTTMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO disclosed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US 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 (2 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM SMN1; SMN2 1424/4885HTT 949/4885MAPT 465/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 SMN1; SMN2 2490/4885HTT 426/4885MAPT 290/4885

“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.