SCHEMBL2865270

SCHEMBL2865270

CCOc1cccc(-n2c(C)c(C)s/c2=N\C(=O)N(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 4/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL2865275 1.00 NOTUM (0.49) NOTUMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL2838440 0.82 NOTUM (0.47) NOTUMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL2838438 0.82 NOTUM (0.47) NOTUMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL11455602 0.65 NOTUM (0.73) NOTUMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL16604939 0.63 MAPT (0.51) NOTUMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL8359538 0.62 CACNA2D1 (0.70) MEN1KMT2A
SCHEMBL11195476 0.62 ALDH1A1 (0.65) NOTUMSMN1; SMN2ALDH1A1MAPTNPSR1
1,3-Diethoxybenzene SCHEMBL1100167 0.60 TP53 (0.71) SMN1; SMN2ALDH1A1MAPTNPSR1KDM4E
SCHEMBL444779 0.60 SMN1; SMN2 (0.49) NOTUMSMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL364241 0.59 HPGD (0.56) SMN1; SMN2ALDH1A1MAPTHSD17B10HPGD

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 NOTUM 2423/4885SMN1; SMN2 1424/4885ALDH1A1 2649/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 NOTUM 2175/4885SMN1; SMN2 2490/4885ALDH1A1 2032/4885

“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.