SCHEMBL1172004

SCHEMBL1172004

COCCOCCOCc1ccc(Br)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 0.37
SELE P16581 4/20 0.37
VCAM1 P19320 1/20 0.37
CYP11B1 P15538 1/20 0.36
APP P05067 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL12881275 1.00 ICAM1 (0.37) ICAM1SELEVCAM1CYP11B1APP
SCHEMBL1171911 0.98 CYP11B1 (0.37) ICAM1SELEVCAM1CYP11B1KDM4E
SCHEMBL744790 0.82 CYP11B1 (0.42) CYP11B1GRM2CHRNB2CHRNA4MMP2
SCHEMBL29545943 0.82 CYP11B1 (0.42) CYP11B1GRM2CHRNB2CHRNA4MMP2
SCHEMBL14787991 0.80 ICAM1 (0.35) ICAM1SELEVCAM1APPL3MBTL1
SCHEMBL2455016 0.79 CYP11B1 (0.40) CYP11B1L3MBTL1GRM2CHRNB2CHRNA4
SCHEMBL15602862 0.78 IDO1 (0.48) APPKDM4EGLAL3MBTL1
SCHEMBL2233337 0.78 GABRP (0.42) ICAM1SELEVCAM1PIK3CDPIK3CA
SCHEMBL2233332 0.78 ICAM1 (0.36) ICAM1SELEVCAM1APPL3MBTL1
SCHEMBL3405892 0.78 ALDH1A1 (0.48) KDM4EL3MBTL1

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
US-8507531-B2 Water-soluble zinc ionophores, zinc chelators, and/or zinc complexes and use for treating cancer Sessler, Jonathan L. (US) 2013-08-13 US disclosed
US-20110034431-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER Sessler, Jonathan L. (US) 2011-02-10 US disclosed
US-7838536-B2 Water-soluble zinc ionophores, zinc chelators, and/or zinc complexes and use for treating cancer Sessler, Jonathan L. (US) 2010-11-23 US disclosed
US-20090209509-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER Sessler, Jonathan L. (US) 2009-08-20 US disclosed
US-7528125-B2 Water-soluble zinc ionophores, zinc chelators, and/or zinc complexes and use for treating cancer Sessler, Jonathan L. (US) 2009-05-05 US disclosed
WO-2007109290-A2 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER PHARMACYCLICS, INC. (US) 2007-09-27 WO disclosed
US-20070219276-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER PHARMACYCLICS, INC (US) 2007-09-20 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 (3 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-20070219276-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 ICAM1 2609/4885SELE 2904/4885VCAM1 2298/4885
US-20110034431-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 ICAM1 2609/4885SELE 2904/4885VCAM1 2298/4885
US-20090209509-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 ICAM1 2609/4885SELE 2904/4885VCAM1 2298/4885

“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.