SCHEMBL3920191

SCHEMBL3920191

CC(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.58
IKBKB O14920 2/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARP1 P09874 1/20 0.44
HTR3A P46098 3/20 0.43
PTPN1 P18031 2/20 0.43
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN5 P54829 1/20 0.43
HSPE1 P61604 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
P2RY14 Q15391 1/20 0.41
ESR2 Q92731 2/20 0.41
CETP P11597 2/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL6216739 0.90 DHODH (0.72) DHODHIKBKBHDAC3HDAC1HDAC2
SCHEMBL3920472 0.86 CETP (0.55) DHODHIKBKBHDAC3HDAC1HDAC2
SCHEMBL16383807 0.84 DHODH (0.76) DHODHHTR3AMTNR1AMTNR1BESR2
SCHEMBL16383806 0.83 DHODH (0.62) DHODHIKBKBHTR3AMTNR1AMTNR1B
SCHEMBL19664247 0.81 RAB9A (0.48) DHODHIKBKBHDAC3HDAC1HDAC2
SCHEMBL18951247 0.78 PTPN2 (0.45) DHODHIKBKBHDAC3HDAC1HDAC2
SCHEMBL3919291 0.78 CEPT1 (0.50) DHODHIKBKBHDAC3HDAC1HDAC2
SCHEMBL3920913 0.77 ESR2 (0.50) DHODHIKBKBHDAC3HDAC1HDAC2
SCHEMBL3920310 0.77 ESR1 (0.43) DHODHIKBKBHDAC3HDAC1HDAC2
SCHEMBL441953 0.77 DHODH (0.65) DHODHPARP1PTPN1PTPN2PTPN5

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
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

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 DHODH 3744/4885IKBKB 1113/4885HDAC3 52/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD DHODH 3746/4885IKBKB 1507/4885HDAC3 49/4885

“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.