SCHEMBL4235872

SCHEMBL4235872

O=C(N=c1sccn1-c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 7/20 0.34
RAB9A P51151 7/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
AKR1C3 P42330 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 3/20 0.32
MDM2 Q00987 2/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL4235871 1.00 MALT1 (0.34) MALT1NPSR1RXRARXRBPOLB
SCHEMBL2868294 0.92 SMN1; SMN2 (0.40) MALT1NPSR1NPC1RAB9ALMNA
SCHEMBL2868292 0.92 SMN1; SMN2 (0.40) MALT1NPSR1NPC1RAB9ALMNA
SCHEMBL2874456 0.90 NPC1 (0.42) NPSR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2874453 0.90 NPC1 (0.42) NPSR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2866718 0.89 MAPT (0.39) NPSR1POLBMAPTNPC1RAB9A
SCHEMBL2866716 0.89 MAPT (0.39) NPSR1POLBMAPTNPC1RAB9A
SCHEMBL2866846 0.88 SMN1; SMN2 (0.43) MALT1POLBMAPTNPC1RAB9A
SCHEMBL2866841 0.88 SMN1; SMN2 (0.43) MALT1POLBMAPTNPC1RAB9A
SCHEMBL2866986 0.88 NPC1 (0.41) MAPTNPC1RAB9ALMNASMN1; SMN2

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 8 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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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
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 MALT1 4830/4885NPSR1 192/4885RXRA 772/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 MALT1 4535/4885NPSR1 153/4885RXRA 1831/4885

“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.