SCHEMBL3921082

SCHEMBL3921082

Cc1ccc(Br)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
XBP1 P17861 1/20 0.57
KCNMA1 Q12791 2/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PTGS1 P23219 1/20 0.50
MTOR P42345 1/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TRPV1 Q8NER1 2/20 0.49

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
SCHEMBL3920776 0.84 ALDH1A1 (0.45) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL3485581 0.80 SRPK1 (0.60) MAPTNPSR1HTTKMT2ARAB9A
SCHEMBL19472054 0.80 MAPT (0.50) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL22164080 0.77 PDK1 (0.49) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL28353161 0.76 MAPT (0.49) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL8363736 0.75 NPC1 (0.76) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL1703717 0.75 TAS2R14 (0.58) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL18935882 0.75 MAPT (0.58) MAPTNPSR1HTTKMT2AMEN1
SCHEMBL2555851 0.74 SMN1; SMN2 (0.50) MAPTNPSR1KMT2AMEN1NPC1
SCHEMBL3919080 0.74 GAA (0.59) MAPTHTTKMT2AMEN1NPC1

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
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 US disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD MAPT 4866/4885NPSR1 167/4885HTT 4403/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD MAPT 4863/4885NPSR1 131/4885HTT 4284/4885

“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.