SCHEMBL6606671

SCHEMBL6606671

CC(=O)Nc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 1/20 0.58
NAPRT Q6XQN6 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 7/20 0.51
KMT2A Q03164 6/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
POLB P06746 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 3/20 0.49
NFKB1 P19838 1/20 0.49
NPY1R P25929 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 3/20 0.48

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
SCHEMBL6609308 0.84 SMN1; SMN2 (0.51) SMN1; SMN2HTTMAPTKMT2ANPC1
SCHEMBL7472207 0.83 NQO2 (0.58) SMN1; SMN2NAPRTHSD17B10MAPTKMT2A
SCHEMBL10378469 0.82 NAPRT (0.47) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL8528282 0.80 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL6607118 0.79 CYP17A1 (0.49) BRD4
SCHEMBL14556191 0.78 MEN1 (0.56) SMN1; SMN2HTTMAPTKMT2ANPC1
SCHEMBL8529101 0.78 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL6611172 0.77 MAPT (0.57) SMN1; SMN2L3MBTL1MAPTKMT2ANPC1
SCHEMBL15819639 0.76 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1HTTHSD17B10MAPT
SCHEMBL15819518 0.76 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
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
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
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 SMN1; SMN2 4354/4885L3MBTL1 2946/4885HTT 4225/4885
US-10131659-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 SMN1; SMN2 4354/4885L3MBTL1 2946/4885HTT 4225/4885
US-20170029424-A1 IODONIUM ANALOGS AS INHIBITORS OF NADPH OXIDASES AND OTHER FLAVIN DEHYDROGENASES; FORMULATIONS THEREOF; AND USES THEREOF NOX5, CYBB, NOX1 SMN1; SMN2 4354/4885L3MBTL1 2946/4885HTT 4225/4885
US-10738047-B2 Iodonium analogs as inhibitors of NADPH oxidases and other flavin dehydrogenases; formulations thereof; and uses thereof NOX5, CYBB, NOX1 SMN1; SMN2 4354/4885L3MBTL1 2946/4885HTT 4225/4885

“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.