SCHEMBL2133786

SCHEMBL2133786

NC(Cc1ncccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
ALDH1A1 P00352 2/20 0.44
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
PDE10A Q9Y233 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GRIA2 P42262 1/20 0.41

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
SCHEMBL4772805 0.81 PDE10A (0.45) CYP1A2ALDH1A1PDE10AKMT2AMEN1
SCHEMBL28409355 0.77 GRM8 (0.52) CYP1A2GRM8GRM4ALPIPKM
SCHEMBL6648261 0.77 MAPT (0.48) CYP1A2ALDH1A1PDE10AKMT2AMEN1
SCHEMBL9952308 0.77 CYP1A2 (0.51) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL6648266 0.77 MAPT (0.48) CYP1A2ALDH1A1PDE10AKMT2AMEN1
SCHEMBL28409353 0.77 GRM8 (0.52) CYP1A2GRM8GRM4ALPIPKM
SCHEMBL43105 0.76 ALPI (0.51) CYP1A2GRM8GRM4ALDH1A1ALPI
SCHEMBL43104 0.76 ALPI (0.51) CYP1A2GRM8GRM4ALDH1A1ALPI
SCHEMBL8977587 0.76 ALPI (0.51) CYP1A2GRM8GRM4ALDH1A1ALPI
SCHEMBL29429691 0.76 ALPI (0.51) CYP1A2GRM8GRM4ALDH1A1ALPI

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 8 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
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
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US 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 CYP1A2 939/4885GRM8 890/4885GRM4 1166/4885

“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.