SCHEMBL18149609

SCHEMBL18149609

Cc1ccc(OC(F)F)c(CBr)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 4/20 0.34
S1PR4 O95977 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MBOAT4 Q96T53 4/20 0.33
RXRA P19793 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GRM4 Q14833 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17150183 0.83 KDM4E (0.50) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL17150197 0.83 S1PR4 (0.37) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL3067223 0.78 KDM4E (0.42) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL18149090 0.77 MBOAT4 (0.43) HPGDALDH1A1S1PR4TSHRHTT
SCHEMBL18149566 0.76 S1PR4 (0.37) S1PR4HTT
SCHEMBL15537356 0.73 MBOAT4 (0.44) HPGDALDH1A1TSHRHTTMBOAT4
SCHEMBL3393709 0.72 S1PR4 (0.40) KDM4EHPGDUSP2HSD17B10ALDH1A1
SCHEMBL13019367 0.71 SMN1; SMN2 (0.36) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL28452208 0.70 LMNA (0.39) KDM4EALDH1A1RXRAGRIN1GRIN2B
SCHEMBL18640593 0.70 KDM4E (0.41) KDM4EHPGDUSP2HSD17B10ALDH1A1

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
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
EP-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO 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

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 KDM4E 4111/4885HPGD 276/4885USP2 4551/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A KDM4E 4111/4885HPGD 276/4885USP2 4551/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A KDM4E 4111/4885HPGD 276/4885USP2 4551/4885

“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.