SCHEMBL309792

SCHEMBL309792

O=[N+]([O-])c1c(F)cc(CBr)cc1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
HIF1A Q16665 1/20 0.34
GRIN2D O15399 5/20 0.33
GRIN3B O60391 5/20 0.33
GRIN1 Q05586 5/20 0.33
GRIN2A Q12879 5/20 0.33
GRIN2B Q13224 5/20 0.33
GRIN2C Q14957 5/20 0.33
GRIN3A Q8TCU5 5/20 0.33
VCAM1 P19320 1/20 0.32
CYP3A4 P08684 1/20 0.31
RIPK1 Q13546 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 2/20 0.30
PKM P14618 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL3644867 0.82 AR (0.32) TDP1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL3654044 0.81 GRIN2D (0.33) TDP1ATMALDH1A1TSHRGRIN2D
SCHEMBL12693888 0.79 POLB (0.38) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL309614 0.79 TSHR (0.38) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL2134335 0.79 ATM (0.40) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL24207654 0.78 ATM (0.34) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL1151404 0.78 TSHR (0.50) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL31650905 0.78 ATM (0.34) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL30908283 0.77 ATM (0.39) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL9373975 0.77 TSHR (0.35) TDP1ALDH1A1TSHRGRIN2DGRIN3B

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-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 WO disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP TDP1 1688/4885ATM 3452/4885ALDH1A1 2720/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP TDP1 1554/4885ATM 3388/4885ALDH1A1 2566/4885

“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.