SCHEMBL3919474

SCHEMBL3919474

Cc1ccc(NC(=O)c2ccccc2)c(C(F)(F)F)c1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
PTGS1 P23219 1/20 0.52
GAA P10253 1/20 0.51
HDAC2 Q92769 1/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
P2RX1 P51575 1/20 0.48
BRAF P15056 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL1408889 0.80 CYP1A2 (0.56) NPC1RAB9APTGS1GAAHDAC2
SCHEMBL13647658 0.80 GAA (0.60) NPC1RAB9APTGS1GAAPOLB
SCHEMBL9525322 0.79 NPC1 (0.59) NPC1RAB9APTGS1GAAPOLB
SCHEMBL1273833 0.78 GAA (0.70) NPC1RAB9AGAAHDAC2POLB
SCHEMBL13885541 0.78 GAA (0.74) NPC1RAB9APTGS1GAAPOLB
SCHEMBL3919470 0.73 RXFP1 (0.55) PTGS1GAARXFP1
SCHEMBL3924697 0.72 GAA (0.62) NPC1RAB9APTGS1GAAPOLB
SCHEMBL27685552 0.72 POLB (0.53) RAB9AGAAPOLBHPGDHDAC1
SCHEMBL15775220 0.71 KDM4E (0.58) NPC1RAB9APTGS1GAAP2RX1
SCHEMBL2564890 0.71 NPC1 (1.00) NPC1RAB9APTGS1POLBP2RX1

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 6 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-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-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 NPC1 2049/4885RAB9A 4004/4885PTGS1 1562/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD NPC1 1797/4885RAB9A 3881/4885PTGS1 1406/4885

“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.