SCHEMBL2868044

SCHEMBL2868044

COc1ccc(-n2cc(C)s/c2=N\C(=O)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 5/20 0.49
NPC1 O15118 8/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.39
MAPT P10636 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL2871113 0.90 ALDH1A1 (0.48) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2869355 0.87 ALDH1A1 (0.44) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2869359 0.87 ALDH1A1 (0.44) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2871565 0.86 ALDH1A1 (0.46) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2842922 0.85 ALDH1A1 (0.40) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2866949 0.85 NPC1 (0.42) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2866947 0.85 NPC1 (0.42) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2869911 0.84 ALDH1A1 (0.42) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2864719 0.84 ALDH1A1 (0.45) ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL2866934 0.84 ALDH1A1 (0.42) ALDH1A1NPSR1NPC1RAB9AMAPT

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 192/4885NPC1 1253/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 ALDH1A1 2032/4885NPSR1 153/4885NPC1 1383/4885

“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.