SCHEMBL18159799

SCHEMBL18159799

FC(F)(F)c1cccc([C@H]2COCc3nc4ccc(Br)cc4n32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
GRM2 Q14416 1/20 0.35
HTR1A P08908 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
PDE2A O00408 1/20 0.34
TEAD1 P28347 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
SCHEMBL18151802 1.00 HDAC8 (0.37) HDAC8HDAC6KDM4EMEN1ALDH1A1
SCHEMBL18151751 0.86 SIRT2 (0.36) HDAC8HDAC6KMT2A
SCHEMBL18151059 0.84 P2RX7 (0.35) HDAC8HDAC6KDM4EMEN1ALDH1A1
SCHEMBL18151061 0.84 P2RX7 (0.35) HDAC8HDAC6KDM4EMEN1ALDH1A1
SCHEMBL18151091 0.84 EPAS1 (0.36) MEN1KMT2ADRD2DRD4GRM2
SCHEMBL18150861 0.80 DRD3 (0.33) GRM2HTR2CHTR2BDRD3
SCHEMBL18151070 0.77 PDE2A (0.35) PDE2A
SCHEMBL18151018 0.76 EPAS1 (0.34) HDAC8HDAC6EGFR
SCHEMBL18151734 0.74 PDE2A (0.37) SMN1; SMN2PDE2AEGFR
SCHEMBL18150334 0.74 PDE2A (0.37) SMN1; SMN2PDE2AEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HDAC8 1444/4885HDAC6 1141/4885KDM4E 4096/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 HDAC8 1444/4885HDAC6 1141/4885KDM4E 4096/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HDAC8 1444/4885HDAC6 1141/4885KDM4E 4096/4885

“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.