SCHEMBL5025713

SCHEMBL5025713

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nn1CC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
FAAH O00519 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
TRPM2 O94759 1/20 0.42

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
SCHEMBL718675 0.91 SMN1; SMN2 (0.57) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL4681188 0.88 POLB (0.55) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL594978 0.88 SMN1; SMN2 (0.70) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL2428624 0.87 MAPT (0.56) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL4095588 0.84 SMN1; SMN2 (0.51) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL4682094 0.84 SMN1; SMN2 (0.79) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL4685138 0.84 FAAH (0.54) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL4682039 0.82 MAPT (0.76) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL4089570 0.81 SMN1; SMN2 (0.47) POLBSMN1; SMN2TDP1MAPTRAB9A
SCHEMBL4688975 0.80 SMN1; SMN2 (0.58) POLBSMN1; SMN2TDP1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG POLB 2066/4885SMN1; SMN2 4244/4885TDP1 2766/4885

“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.