SCHEMBL2352170

SCHEMBL2352170

CC(C)(C)OC(=O)c1ccc2ccc(Br)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
PPARA Q07869 1/20 0.37
GABRA1 P14867 5/20 0.37
GABRG2 P18507 5/20 0.37
GABRB3 P28472 5/20 0.37
GABRA5 P31644 5/20 0.37
GABRA3 P34903 5/20 0.37
GABRA2 P47869 5/20 0.37
GABRA6 Q16445 4/20 0.37
GABRB2 P47870 2/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
GABRA4 P48169 3/20 0.36

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
SCHEMBL31688990 0.90 BACE1 (0.43) BACE1ABCG2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL3364680 0.83 ABCG2 (0.56) BACE1ABCG2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4312684 0.80 MGAM (0.56) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL15447473 0.77 BACE1 (0.48) BACE1ABCG2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL23458543 0.76 HSD17B14 (0.47) GAAMAPTGABRA1GABRG2GABRB3
SCHEMBL3365551 0.75 MGAM (0.58) BACE1ABCG2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8232361 0.74 NCEH1 (0.40) BACE1SMN1; SMN2CYP1A2RECQLPPARA
SCHEMBL31407736 0.74 KDM4E (0.55) ALDH1A1SMN1; SMN2RECQLGABRA1GABRG2
SCHEMBL645688 0.74 KDM4E (0.55) ALDH1A1SMN1; SMN2RECQLGABRA1GABRG2
SCHEMBL22479123 0.74 BACE1 (0.48) BACE1ABCG2ALDH1A1SMN1; SMN2CYP1A2

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-3318555-B1 BIFUNCTIONAL CHELATING AGENTS BWXT MEDICAL LTD (CA) 2023-08-16 EP disclosed
EP-3318555-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2018-05-09 EP disclosed
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 EP disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
EP-2536691-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2012-12-26 EP disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 US disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 BACE1 3858/4885ABCG2 153/4885ALDH1A1 1998/4885

“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.