SCHEMBL2862532

SCHEMBL2862532

Cc1cn(-c2ccc(Cl)cn2)/c(=N/C(=O)C(C)(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 3/20 0.33
MAPK1 P28482 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31

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
SCHEMBL2862534 1.00 ALDH1A1 (0.39) ALDH1A1NPSR1KDM4ELMNAL3MBTL1
SCHEMBL2874086 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4ECNR1CNR2
SCHEMBL2874089 0.86 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4ECNR1CNR2
SCHEMBL2841500 0.84 MAPT (0.42) ALDH1A1NPSR1KDM4ELMNAL3MBTL1
SCHEMBL2869913 0.84 ALDH1A1 (0.42) ALDH1A1NPSR1KDM4ELMNACNR2
SCHEMBL2869911 0.84 ALDH1A1 (0.42) ALDH1A1NPSR1KDM4ELMNACNR2
SCHEMBL2868091 0.82 HRH4 (0.41) ALDH1A1NPSR1KDM4EPPARARAB9A
SCHEMBL2862920 0.80 ALDH1A1 (0.40) ALDH1A1NPSR1KDM4ELMNACNR2
SCHEMBL2872263 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1PPARGRAB9ANPC1
SCHEMBL2872266 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1PPARGRAB9ANPC1

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 13 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
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 ALDH1A1 2649/4885NPSR1 192/4885KDM4E 3902/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 ALDH1A1 2032/4885NPSR1 153/4885KDM4E 1275/4885

“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.