SCHEMBL20140293

SCHEMBL20140293

COc1cc(F)c(Br)cc1C(O)c1ccc2c(c1)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ACHE P22303 1/20 0.31
LMNA P02545 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
SCHEMBL20139974 0.83 TOP2A (0.36) TOP2ATOP2BKMT2AALDH1A1HSP90AA1
SCHEMBL20139978 0.81 TOP2A (0.41) TOP2ATOP2BKMT2AHTTALDH1A1
SCHEMBL20140072 0.80 KMT2A (0.40) TOP2ATOP2BKMT2AALDH1A1HSP90AA1
SCHEMBL20139480 0.77 CHRNA7 (0.44) TOP2ATOP2BKMT2AMEN1HTR2A
SCHEMBL20140136 0.73 HTR2A (0.40) HTR2AHTR2C
SCHEMBL20140153 0.72 PDE2A (0.32) TOP2ATOP2BKMT2AHTTALDH1A1
SCHEMBL16235208 0.70 LMNA (0.42) KMT2AALDH1A1GAAMEN1CYP2C19
SCHEMBL20140114 0.69 TOP2A (0.37) TOP2ATOP2BHTTALDH1A1
SCHEMBL20139430 0.69 EPHX2 (0.33) TOP2ATOP2BKMT2AHTTALDH1A1
SCHEMBL20140227 0.68 SLC5A1 (0.53) ALDH1A1HTR2ASLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO disclosed
US-20160022825-A1 NANOPARTICLES FOR MITOCHONDRIAL TRAFFICKING OF AGENTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-01-28 US 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 (2 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-20160022825-A1 NANOPARTICLES FOR MITOCHONDRIAL TRAFFICKING OF AGENTS RHOT2, TFAM, MAVS TOP2A 676/4885TOP2B 1353/4885KMT2A 4268/4885
US-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 TOP2A 2707/4885TOP2B 2772/4885KMT2A 1219/4885

“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.