SCHEMBL2863396

SCHEMBL2863396

COc1ccc(-n2ccs/c2=N\C(=O)N2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 6/20 0.46
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL2863400 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2866583 0.96 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2866581 0.96 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2862895 0.88 HPGD (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2862891 0.88 HPGD (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2863295 0.87 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2863300 0.87 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2873970 0.87 RAB9A (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2873969 0.87 RAB9A (0.44) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL2866941 0.86 RAB9A (0.41) SMN1; SMN2NPC1RAB9AHPGDALDH1A1

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 12 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
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
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 1424/4885NPC1 1253/4885RAB9A 1612/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 SMN1; SMN2 2490/4885NPC1 1383/4885RAB9A 917/4885

“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.