SCHEMBL18393602

SCHEMBL18393602

COc1c(Br)cc(CO[Si](C)(C)C(C)(C)C)c(C)c1OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA1 P00915 1/20 0.38
CA6 P23280 1/20 0.38
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
IMPDH2 P12268 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
BACE1 P56817 1/20 0.30
MAPT P10636 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
SCHEMBL18393568 0.82 CYP19A1 (0.30) BACE1
SCHEMBL2463236 0.77 MAPT (0.32) HPGDALDH1A1BACE1MAPT
SCHEMBL18784708 0.75 BACE1 (0.30) HPGDBACE1MAPT
SCHEMBL28556535 0.73 BACE1 (0.31) HPGDBACE1MAPT
SCHEMBL5773325 0.72 HTR2A (0.39)
SCHEMBL18393601 0.72 CA2 (0.37) CA2CA4CA1CA6IMPDH2
SCHEMBL192582 0.72 AGXT (0.47)
SCHEMBL8256403 0.72 HTR2A (0.36) HPGDALDH1A1MEN1KMT2A
SCHEMBL3151669 0.72 F2RL3 (0.30)
SCHEMBL5777589 0.72 IDO1 (0.41) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954219-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-03-23 US disclosed
US-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-10-04 US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 US disclosed
US-10017500-B2 1,3-benzodioxole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-07-10 US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 US disclosed
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-03-16 US disclosed
EP-3121175-A1 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-25 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 (4 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-20180282313-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 CA2 1669/4885CA4 2461/4885CA1 3237/4885
US-20170073335-A1 1,3-BENZODIOXOLE DERIVATIVE EZH1, EZH2, BMI1 CA2 1669/4885CA4 2461/4885CA1 3237/4885
US-10017500-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 CA2 1669/4885CA4 2461/4885CA1 3237/4885
US-10954219-B2 1,3-benzodioxole derivative EZH1, EZH2, BMI1 CA2 1669/4885CA4 2461/4885CA1 3237/4885

“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.