SCHEMBL4739693

SCHEMBL4739693

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1C(N)c1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.37
LTA4H P09960 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
RAD51 Q06609 1/20 0.33
TLR8 Q9NR97 1/20 0.33
HTR1A P08908 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KIF11 P52732 1/20 0.32
AKT1 P31749 2/20 0.32
TRPA1 O75762 1/20 0.32
PTGS2 P35354 1/20 0.31
NPY5R Q15761 2/20 0.31
ASIC1 P78348 1/20 0.31
GRM5 P41594 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4682439 0.84 MAPT (0.39) HRH4HTR1ANPC1MAPTRAB9A
SCHEMBL4744865 0.72 TOP1 (0.37) TOP1HRH4F2RL3RAD51NPC1
SCHEMBL4681659 0.71 NPY5R (0.46) LTA4HHRH4F2RL3RAD51TLR8
SCHEMBL4744870 0.69 TOP1 (0.39) TOP1LTA4HHRH4F2RL3RAD51
SCHEMBL14445915 0.69 TOP1 (0.39) TOP1LTA4HHRH4F2RL3RAD51
SCHEMBL4739698 0.69 F2 (0.45) TOP1LTA4HHRH4NPC1MAPT
SCHEMBL4683036 0.68 NPC1 (0.46) LTA4HNPC1MAPT
SCHEMBL17290824 0.67 PTGS2 (0.44) F2RL3RAD51TLR8NPC1MAPT
SCHEMBL5022588 0.67 MAPT (0.36) TOP1F2RL3RAD51TLR8NPC1
SCHEMBL10959817 0.65 PHGDH (0.51) RAD51GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 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 (1 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA TOP1 1713/4885LTA4H 213/4885HRH4 609/4885

“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.