SCHEMBL2134335

SCHEMBL2134335

O=[N+]([O-])c1c(F)cc(F)cc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RIPK1 Q13546 1/20 0.35
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
P2RY6 Q15077 1/20 0.32
HSPB1 P04792 3/20 0.32
TTR P02766 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 2/20 0.31
GRIN2D O15399 3/20 0.31
GRIN3B O60391 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
GRIN2B Q13224 3/20 0.31
GRIN2C Q14957 3/20 0.31
GRIN3A Q8TCU5 3/20 0.31
LMNA P02545 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
SCHEMBL12458282 0.83 ATM (0.41) ATMTDP1RIPK1ABCC8KCNJ11
SCHEMBL10180093 0.81 ATM (0.40) ATMTDP1RIPK1ABCC8KCNJ11
SCHEMBL104470 0.80 TDP1 (0.52) ATMTDP1ABCC8KCNJ11P2RY6
SCHEMBL309792 0.79 TDP1 (0.35) ATMTDP1RIPK1ALDH1A1HIF1A
SCHEMBL9167469 0.77 CYP1A2 (0.44) ATMTDP1TTRTSHRHPD
SCHEMBL10180170 0.77 TDP1 (0.37) ATMTDP1HSPB1TTRALDH1A1
SCHEMBL10180216 0.77 ATM (0.34) ATMTDP1HSPB1TTRGRIN2D
SCHEMBL9373975 0.76 TSHR (0.35) TDP1ALDH1A1TSHRGRIN2DGRIN3B
SCHEMBL10180834 0.75 GRIN2D (0.37) ATMTDP1HSPB1TTRSMN1; SMN2
SCHEMBL9000095 0.75 ATM (0.44) ATMTDP1RIPK1ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
EP-2443092-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS Pfizer Inc. (US) 2012-04-25 EP disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
WO-2010146488-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER INC. (US) 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B ATM 3159/4885TDP1 738/4885RIPK1 761/4885

“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.