SCHEMBL18150136

SCHEMBL18150136

CN(N)C(=O)c1ccc(Br)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
DGAT1 O75907 1/20 0.33
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM1B Q8NB78 2/20 0.33
HPGD P15428 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ERN1 O75460 1/20 0.31
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PAK4 O96013 1/20 0.30
CHEK2 O96017 1/20 0.30
LCK P06239 1/20 0.30
CDK1 P06493 1/20 0.30
LYN P07948 1/20 0.30

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
SCHEMBL18150159 0.86 DGAT1 (0.32) DGAT1HPGDHDAC3HDAC6
SCHEMBL23692788 0.85 ALDH1A1 (0.43) CES2CES1DGAT1HPGDALDH1A1
SCHEMBL28221345 0.75 DGAT1 (0.52) CES2CES1DGAT1KDM1AKCNH2
SCHEMBL18150051 0.74 DGAT1 (0.33) DGAT1HDAC6ALDH1A1
SCHEMBL18149810 0.74 DGAT1 (0.61) CES2CES1DGAT1ALDH1A1FLT1
SCHEMBL3540940 0.72 CYP1A2 (0.44) CES2CES1DGAT1ALDH1A1ERN1
SCHEMBL25247000 0.72 HPGD (0.57) HPGDALDH1A1
SCHEMBL18150822 0.71 DGAT1 (0.37) CES2CES1DGAT1KDM1AKCNH2
SCHEMBL18640539 0.71 ALDH1A1 (0.43) CES2CES1DGAT1KDM1AKCNH2
SCHEMBL17128958 0.70 SOS1 (0.46) CES2CES1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 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 (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-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A CES2 4023/4885CES1 3383/4885DGAT1 3882/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A CES2 4023/4885CES1 3383/4885DGAT1 3882/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A CES2 4023/4885CES1 3383/4885DGAT1 3882/4885

“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.