SCHEMBL4240522

SCHEMBL4240522

Cc1ccc(-n2cc(CO)s/c2=N\C(=O)N2CC[C@@H](F)C2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NOTUM Q6P988 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
LPAR5 Q9H1C0 2/20 0.32
DPP4 P27487 4/20 0.31
DPP7 Q9UHL4 2/20 0.31
GRIN2B Q13224 3/20 0.31
GRIN1 Q05586 1/20 0.31
CHRM4 P08173 1/20 0.30

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
SCHEMBL4240525 1.00 GAA (0.33) GAAMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL4225629 0.92 GRIN2B (0.34) NPC1RAB9ATP53HPGDLPAR5
SCHEMBL4225631 0.92 GRIN2B (0.34) NPC1RAB9ATP53HPGDLPAR5
SCHEMBL4234632 0.88 TP53 (0.34) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4234636 0.88 TP53 (0.34) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4224552 0.87 ALDH1A1 (0.32) NPC1RAB9AALDH1A1DPP4DPP7
SCHEMBL4224551 0.87 ALDH1A1 (0.32) NPC1RAB9AALDH1A1DPP4DPP7
SCHEMBL4240588 0.86 NOTUM (0.35) MAPTNPC1RAB9ANOTUMHPGD
SCHEMBL4240589 0.86 NOTUM (0.35) MAPTNPC1RAB9ANOTUMHPGD
SCHEMBL2863784 0.85 AKR1C3 (0.34) NPC1RAB9ANOTUMHPGDDPP4

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 10 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
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
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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 GAA 2177/4885MAPT 465/4885SMN1; SMN2 1424/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 GAA 762/4885MAPT 290/4885SMN1; SMN2 2490/4885

“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.