SCHEMBL4884875

SCHEMBL4884875

Cc1no[n+]([O-])c1CCBr

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4884016 0.85
SCHEMBL14184267 0.77
SCHEMBL13685915 0.67
SCHEMBL4890325 0.66
SCHEMBL9273551 0.66 CA12 (0.45) CA12CA1CA2CA9ABCB1
SCHEMBL20377316 0.59
SCHEMBL3807099 0.58
SCHEMBL427022 0.58 CA12 (0.49) CA12CA1CA2CA9ABCB1
SCHEMBL7082013 0.57 ABCC1 (0.50) CA12CA1CA2CA9ABCB1
SCHEMBL19610644 0.57 ABCB1 (0.32) ABCB1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114038-A1 Drugs Derived from Diclofenac Containing No-Donor Heterocycles, Composition and Method of Inflammation Treatment PEDRAZZOLI JOSE 2008-05-15 US disclosed
WO-2006042387-A1 DRUGS DERIVED FROM DICLOFENAC CONTAINING NO-DONOR HETEROCYCLES, COMPOSITION AND METHOD OF INFLAMMATION TREATMENT CMAX OTIMIZACÃO DE RESULTADOS S C LTDA (BR) 2006-04-27 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 (1 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-20080114038-A1 Drugs Derived from Diclofenac Containing No-Donor Heterocycles, Composition and Method of Inflammation Treatment PTGS1, PTGS2, PTGES CA12 3542/4885CA1 2414/4885CA2 873/4885

“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.