SCHEMBL3924009

SCHEMBL3924009

Cc1cccc(NC(=S)c2ccc(C(F)(F)F)cc2)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 3/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 7/20 0.40
ALOX12 P18054 4/20 0.40
PTGS1 P23219 1/20 0.40
CTSL P07711 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
PLA2G1B P04054 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL3919080 0.84 GAA (0.59) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL6217659 0.83 ALDH1A1 (0.40) MAPTMEN1KMT2AHTTGAA
SCHEMBL28571784 0.82 HPGD (0.53) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL28582879 0.80 L3MBTL1 (0.49) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL3920776 0.75 ALDH1A1 (0.45) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL4461629 0.74 CA1 (0.42) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL8002218 0.73 HPGD (0.70) KMT2AHTTGAALMNAALDH1A1
SCHEMBL14401794 0.72 ALDH1A1 (0.49) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL23043236 0.71 L3MBTL1 (0.56) MAPTMEN1KMT2AGAALMNA
SCHEMBL3924697 0.70 GAA (0.62) MAPTMEN1KMT2AHTTRAB9A

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 4866/4885MEN1 4796/4885KMT2A 3762/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD MAPT 4863/4885MEN1 4770/4885KMT2A 3451/4885

“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.