SCHEMBL2831241

SCHEMBL2831241

CC(O)(c1c[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ATM Q13315 2/20 0.44
PBRM1 Q86U86 1/20 0.42
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
GPR84 Q9NQS5 4/20 0.41
AHR P35869 2/20 0.40
CFTR P13569 1/20 0.40
NR4A2 P43354 2/20 0.39
CREBBP Q92793 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2828189 0.84 MAPK1 (0.50) MAPK1ATMPBRM1CTNNB1WNT3A
SCHEMBL27719429 0.78 ATM (0.43) MAPK1ATMPBRM1CTNNB1WNT3A
SCHEMBL16394486 0.78 CYP2A6 (0.43) GPR84NR4A2
SCHEMBL16675476 0.78 MAPK1 (0.49) MAPK1ATMPBRM1CTNNB1WNT3A
SCHEMBL799601 0.77 ATM (0.54) MAPK1ATMPBRM1GPR84AHR
SCHEMBL13335152 0.77 ATM (0.54) MAPK1ATMPBRM1GPR84AHR
SCHEMBL2789076 0.77 CTNNB1 (0.51) MAPK1ATMCTNNB1WNT3AGPR84
SCHEMBL1685393 0.77 ATM (0.54) MAPK1ATMPBRM1GPR84AHR
SCHEMBL30437029 0.77 ATM (0.54) MAPK1ATMPBRM1GPR84AHR
SCHEMBL29885789 0.77 ATM (0.54) MAPK1ATMPBRM1GPR84AHR

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-1945611-B1 N- (HETERO) ARYL INDOLE DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-1783114-A1 N-(hetero)aryl indole derivatives as pesticides Novartis AG (CH) 2007-05-09 EP 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-20090227538-A1 N-(Hetero)Aryl Indole Derivatives as Pesticides IDO1, IDO2, CHRM1 MAPK1 3888/4885ATM 3649/4885PBRM1 454/4885

“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.