SCHEMBL16150697

SCHEMBL16150697

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(Cl)c1NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
RORC P51449 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BACE1 P56817 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNJ11 Q14654 3/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ8 Q15842 1/20 0.33

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
SCHEMBL16150471 0.90 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16150200 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RORCMEN1KMT2A
SCHEMBL16151279 0.84 HTT (0.45) ALDH1A1SMN1; SMN2RORCMEN1KMT2A
SCHEMBL16151303 0.83 KCNJ11 (0.41) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16150507 0.81 KCNJ11 (0.42) ALDH1A1SMN1; SMN2RORCMEN1KMT2A
SCHEMBL20428917 0.81 PDK1 (0.41) ALDH1A1SMN1; SMN2RORCMEN1KMT2A
SCHEMBL16150837 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2RORCMEN1KMT2A
SCHEMBL16150675 0.79 KCNJ11 (0.38) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16155858 0.78 KCNJ11 (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8773837 0.77 POLB (0.42) ALDH1A1SMN1; SMN2RORCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981519-B1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP SYNGENTA PARTICIPATIONS AG (CH) 2018-08-01 EP disclosed
US-9598369-B2 Process for the preparation of amides from hindered anilines containing a perhaloalkyl group SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 US disclosed
US-9598369-B2 Process for the preparation of amides from hindered anilines containing a perhaloalkyl group SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 US disclosed
US-9598369-B2 Process for the preparation of amides from hindered anilines containing a perhaloalkyl group SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 US disclosed
US-20160168097-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 US disclosed
US-20160168097-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 US disclosed
US-20160168097-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 US disclosed
EP-2981519-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP Syngenta Participations AG (CH) 2016-02-10 EP disclosed
WO-2014161850-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP SYNGENTA PARTICIPATIONS AG (CH) 2014-10-09 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-20160168097-A1 PROCESS FOR THE PREPARATION OF AMIDES FROM HINDERED ANILINES CONTAINING A PERHALOALKYL GROUP ABHD5, FADS1, PFAS ALDH1A1 969/4885SMN1; SMN2 4697/4885RORC 4587/4885

“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.