SCHEMBL2864237

SCHEMBL2864237

Cc1cn(-c2ccc(Oc3ccccc3)cc2)c(=NC(=O)N2CCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 2/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
BTK Q06187 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2864233 1.00 ALDH1A1 (0.37) ALDH1A1MAPK1NPC1RAB9AFFAR1
SCHEMBL2872814 0.90 KMT2A (0.38) ALDH1A1MAPK1POLBGAAKMT2A
SCHEMBL2872820 0.90 KMT2A (0.38) ALDH1A1MAPK1POLBGAAKMT2A
SCHEMBL2840157 0.89 HPGD (0.45) ALDH1A1NPC1RAB9APOLBL3MBTL1
SCHEMBL2840154 0.89 HPGD (0.45) ALDH1A1NPC1RAB9APOLBL3MBTL1
SCHEMBL2863026 0.86 NPC1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL2863025 0.86 NPC1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL2868405 0.86 NPC1 (0.40) ALDH1A1MAPK1NPC1RAB9AFFAR1
SCHEMBL2868411 0.86 NPC1 (0.40) ALDH1A1MAPK1NPC1RAB9AFFAR1
SCHEMBL2869623 0.85 HPGD (0.39) ALDH1A1MAPK1NPC1RAB9APOLB

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
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US 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
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 2649/4885MAPK1 2582/4885NPC1 1253/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 ALDH1A1 2032/4885MAPK1 2585/4885NPC1 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.