SCHEMBL5844932

SCHEMBL5844932

Nc1ccc(C(F)(C(F)(F)F)C(F)(F)Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
MAOB P27338 4/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 3/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 2/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL297801 0.87 KIF11 (0.54) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL289976 0.81 KIF11 (0.48) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL6900832 0.81 KIF11 (0.48) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL18355972 0.79 KIF11 (0.46) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL22212787 0.79 KIF11 (0.46) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL19309077 0.79 KIF11 (0.46) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL16207357 0.76 KIF11 (0.43) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL3894118 0.74 CYP3A4 (0.45) MAPTALDH1A1TDP1KDM4EMAPK1
Propane SCHEMBL28874741 0.74 KIF11 (0.42) KIF11MAOBMAPTMEN1KMT2A
SCHEMBL5846633 0.73 CA12 (0.37) ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041852-B2 Perfluoroalkylanilines BAYER CHEMICALS AG (DE) 2006-05-09 US claimed
US-20040152898-A1 Perfluoroalkylanilines LANXESS DEUTSCHLAND GMBH (DE) 2004-08-05 US claimed
EP-1418171-A1 Perfluoroalkylanilins Bayer Chemicals AG (DE) 2004-05-12 EP claimed
EP-3556744-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-06-01 EP disclosed
EP-3087052-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-11-20 EP disclosed
EP-3556744-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-23 EP disclosed
US-9750246-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-9750246-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
EP-2456759-B1 PESTICIDAL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2017-04-19 EP disclosed
US-20170000121-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 US disclosed
EP-3087052-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-11-02 EP disclosed
WO-2015097091-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 WO disclosed
US-8822691-B2 Pesticidal carboxamides BAYER CROPSCIENCE AG (DE) 2014-09-02 US disclosed
US-20120277185-A1 Pesticidal Carboxamides BAYER CROPSCIENDE AG (DE) 2012-11-01 US disclosed
EP-1418171-B1 Verfahren zur Herstellung von Perfluoroalkylanilins SALTIGO GMBH (DE) 2011-12-14 EP disclosed
US-7041852-B2 Perfluoroalkylanilines BAYER CHEMICALS AG (DE) 2006-05-09 US disclosed
US-20040152898-A1 Perfluoroalkylanilines LANXESS DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
EP-1418171-A1 Perfluoroalkylanilins Bayer Chemicals AG (DE) 2004-05-12 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 (3 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-20120277185-A1 Pesticidal Carboxamides DDT, ACHE, AADAC KIF11 4452/4885MAOB 1895/4885MAPT 4650/4885
US-20170000121-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 KIF11 3179/4885MAOB 422/4885MAPT 4303/4885
US-20040152898-A1 Perfluoroalkylanilines PFAS, AFF2, AFF4 KIF11 788/4885MAOB 949/4885MAPT 3999/4885

“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.