SCHEMBL2126356

SCHEMBL2126356

O=[N+]([O-])c1c(Br)ccc2c1CCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MTNR1B P49286 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
PTGER4 P35408 1/20 0.32
TYMS P04818 1/20 0.31
HTT P42858 1/20 0.30
BAZ1A Q9NRL2 1/20 0.30
PMM2 O15305 1/20 0.30
MPI P34949 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
SCHEMBL10818196 0.80 TXNRD1 (0.38) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL10818074 0.80 MAPT (0.44) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL17008917 0.80 MAOA (0.32) ALDH1A1PTGER4TYMSPMM2MPI
SCHEMBL17008811 0.74 PTGER4 (0.31) PTGER4
SCHEMBL2251607 0.71 MAPT (0.41) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL3469093 0.71 ALDH1A1 (0.44) ALDH1A1LMNAPTGER4TYMSPMM2
SCHEMBL30949613 0.71 HTR2A (0.43) MAPTMTNR1BMEN1LMNAKMT2A
SCHEMBL20741822 0.71 HTR2A (0.43) MAPTMTNR1BMEN1LMNAKMT2A
SCHEMBL10815482 0.70 MAPT (0.47) TXNRD1TXNRD3TXNRD2MAPTALDH1A1
SCHEMBL27031692 0.70 TXNRD1 (0.38) TXNRD1TXNRD3TXNRD2MAPTALDH1A1

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 TXNRD1 699/4885TXNRD3 615/4885TXNRD2 408/4885

“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.