SCHEMBL3748903

SCHEMBL3748903

BrCc1ccc(Br)nc1.BrCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
KCNA5 P22460 1/20 0.35
GRM2 Q14416 1/20 0.35
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL1172955 0.89 MAPT (0.33) SMN1; SMN2MAPTLIN28ATDP1L3MBTL1
SCHEMBL29725206 0.82
SCHEMBL485115 0.82
SCHEMBL29415695 0.80
SCHEMBL6563 0.80
Hydrochloric Acid SCHEMBL243023 0.78
Hydrochloric Acid SCHEMBL29994471 0.78
Iodide SCHEMBL6246153 0.78
Bromide SCHEMBL29427044 0.78
Bromide SCHEMBL119703 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20070219276-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 SMN1; SMN2 1995/4885MAPT 4379/4885LIN28A 2375/4885
US-20090209509-A1 WATER-SOLUBLE ZINC IONOPHORES, ZINC CHELATORS, AND/OR ZINC COMPLEXES AND USE FOR TREATING CANCER SLC39A11, SLC39A3, SLC30A6 SMN1; SMN2 1995/4885MAPT 4379/4885LIN28A 2375/4885

“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.