SCHEMBL5809553

SCHEMBL5809553

CC(C)(C)OC(=O)NCC1Cc2cc(Br)cc(Cl)c2O1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 1/20 0.44
▸ RORC P51449 7/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ ACACB O00763 2/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ AQP1 P29972 2/20 0.34
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL17987807 0.88 EZH2 (0.45) EZH2RORCACACBACACADRD2
SCHEMBL17987846 0.86 RORC (0.41) RORCAAK1DRD2NAMPT
SCHEMBL15765023 0.85 MEN1 (0.38) RORCAAK1DRD2NAMPT
SCHEMBL15765046 0.84 EZH2 (0.47) EZH2RORCACACBACACADRD2
SCHEMBL15758852 0.83 EZH2 (0.46) EZH2SIRT2AKR1B1AQP1
SCHEMBL15765204 0.83 ACACB (0.43) EZH2RORCACACBACACADRD2
SCHEMBL15765045 0.82 EZH2 (0.40) EZH2RORCACACBACACADRD2
SCHEMBL15765200 0.82 EZH2 (0.40) EZH2RORCACACBACACADRD2
SCHEMBL5793270 0.81 DRD2 (0.46) EZH2RORCACACBACACADRD2
SCHEMBL15765198 0.81 EZH2 (0.39) EZH2RORCACACBACACADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 — — US disclosed
WO-2017117447-A1 MULTICYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 — — WO disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 — — US disclosed
US-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof Karyopharm Therapeutics Inc. 2016-08-04 — — US disclosed
WO-2014085607-A1 SUBSTITUTED 2,3-DIHYDROBENZOFURANYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2014-06-05 — — WO disclosed
WO-2006000902-A1 DIHYDROBENZOFURAN COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2006-01-05 — — 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-20160221994-A1 Substituted 2,3-Dihydrobenzofuranyl Compounds And Uses Thereof BCL6, MALT1, BCL3 EZH2 469/4885RORC 281/4885SIRT2 1799/4885

“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.

Send feedback