SCHEMBL9912464

SCHEMBL9912464

N[C@@H](Cc1c[nH]nc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.48
CYP2C19 P33261 1/20 0.46
GRIA2 P42262 2/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
BLM P54132 3/20 0.41
PMP22 Q01453 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 2/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 2/20 0.41
NFKB1 P19838 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 2/20 0.41
RGS12 O14924 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
SCHEMBL14136593 0.73 KMT2A (0.42) PTPRAGRIA2KDM4ELMNAMAPT
SCHEMBL7454145 0.72 SLC7A5 (0.45) PTPRACYP2C19GRIA2CYP3A4PKM
SCHEMBL28186786 0.71 TSHR (0.40) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL3194682 0.69 PTPRA (0.46) PTPRACYP2C19GRIA2KDM4ELMNA
SCHEMBL3194680 0.69 PTPRA (0.46) PTPRACYP2C19GRIA2KDM4ELMNA
SCHEMBL43104 0.68 ALPI (0.51) PTPRAGRIA2ALDH1A1PKMTSHR
SCHEMBL29429691 0.68 ALPI (0.51) PTPRAGRIA2ALDH1A1PKMTSHR
SCHEMBL8977587 0.68 ALPI (0.51) PTPRAGRIA2ALDH1A1PKMTSHR
SCHEMBL43105 0.68 ALPI (0.51) PTPRAGRIA2ALDH1A1PKMTSHR
SCHEMBL5289525 0.68 PTPRA (0.37) PTPRACYP2C19GRIA2MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120301729-A1 TWO-COMPONENT ADHESIVE OR SEALANT COMPOSITION COMPRISING ACCELERATOR COMPONENT SIKA TECHNOLOGY AG (CH) 2012-11-29 US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 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 (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-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 PTPRA 1956/4885CYP2C19 3741/4885GRIA2 261/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 PTPRA 1956/4885CYP2C19 3741/4885GRIA2 261/4885

“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.