SCHEMBL2862767

SCHEMBL2862767

CC(=O)c1ccc(-n2cc(C)s/c2=N\C(=O)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 5/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 4/20 0.40
PPARG P37231 1/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KCNJ1 P48048 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 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
SCHEMBL2862769 1.00 ALDH1A1 (0.41) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2869359 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2869355 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2869911 0.85 ALDH1A1 (0.42) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2866930 0.85 ALDH1A1 (0.42) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2864716 0.85 ALDH1A1 (0.45) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2862523 0.84 ALDH1A1 (0.41) ALDH1A1NPSR1RAB9ANPC1PPARG
SCHEMBL2872617 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2872621 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1RAB9AMAPTNPC1
SCHEMBL2870115 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1RAB9ANPC1PPARG

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 11 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
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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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 ALDH1A1 2649/4885NPSR1 192/4885RAB9A 1612/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 ALDH1A1 2032/4885NPSR1 153/4885RAB9A 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.