SCHEMBL2844231

SCHEMBL2844231

COc1ccc(-n2cc(C)sc2=NC(=O)C(C)(C)C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.54
NPSR1 Q6W5P4 5/20 0.54
KDM4E B2RXH2 12/20 0.41
MAPT P10636 11/20 0.41
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
RXFP1 Q9HBX9 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 5/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 2/20 0.37
NCOA2 Q15596 2/20 0.37
NCOA1 Q15788 2/20 0.37
NCOA3 Q9Y6Q9 2/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.35
POLB P06746 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
SCHEMBL2844228 1.00 ALDH1A1 (0.54) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2866408 0.87 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2864592 0.86 ALDH1A1 (0.49) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2871111 0.84 ALDH1A1 (0.48) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2871113 0.84 ALDH1A1 (0.48) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2866800 0.83 ALDH1A1 (0.39) ALDH1A1NPSR1NPC1RAB9ARXFP1
SCHEMBL2868044 0.83 ALDH1A1 (0.49) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2868046 0.83 ALDH1A1 (0.49) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2871563 0.82 ALDH1A1 (0.46) ALDH1A1NPSR1KDM4EMAPTNPC1
SCHEMBL2871565 0.82 ALDH1A1 (0.46) ALDH1A1NPSR1KDM4EMAPTNPC1

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
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
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.