SCHEMBL17164792

SCHEMBL17164792

COc1cc2c(cc1OC)=c1ccccc1=2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.55
CA1 P00915 4/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 3/20 0.55
CA12 O43570 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA4 P22748 1/20 0.55
NQO2 P16083 1/20 0.50
NQO1 P15559 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ACHE P22303 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL4532734 0.85 CYP3A4 (0.53) CA2CA1CA7CA9CA12
SCHEMBL13518528 0.85 CYP3A4 (0.53) CA2CA1CA7CA9CA12
SCHEMBL30459979 0.74 NQO1 (0.68) CA2CA1CA7CA9CA12
SCHEMBL441442 0.74 NQO1 (0.68) CA2CA1CA7CA9CA12
SCHEMBL29153309 0.74 CYP1A2 (0.56) CA2CA1CA7CA9CA12
SCHEMBL14280975 0.72 CA1 (0.55) CA2CA1CA7CA9CA12
SCHEMBL21415991 0.72 CA1 (0.55) CA2CA1CA7CA9CA12
SCHEMBL17164790 0.72 CA1 (0.55) CA2CA1CA7CA9CA12
SCHEMBL7950717 0.72 CA1 (0.55) CA2CA1CA7CA9CA12
SCHEMBL5576497 0.72 CA1 (0.55) CA2CA1CA7CA9CA12

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
EP-3129102-B1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF US HEALTH (US) 2025-06-18 EP disclosed
US-10738047-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2020-08-11 US disclosed
US-20190048001-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF THE US SECRETARY DEPARTMENT OF HEALTH (US) 2019-02-14 US disclosed
US-10131659-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-20 US disclosed
EP-3129102-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2017-02-15 EP disclosed
US-20170029424-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF THE US SECRETARY DEPT OF HEALTH (US) 2017-02-02 US disclosed
WO-2015157145-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-15 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 (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-20190048001-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF NOX5, CYBB, NOX1 CA2 3412/4885CA1 3979/4885CA7 3747/4885
US-10131659-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 CA2 3412/4885CA1 3979/4885CA7 3747/4885
US-20170029424-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF NOX5, CYBB, NOX1 CA2 3412/4885CA1 3979/4885CA7 3747/4885
US-10738047-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 CA2 3412/4885CA1 3979/4885CA7 3747/4885

“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.