SCHEMBL2127356

SCHEMBL2127356

NC(Cc1ccc(Br)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.50
PTPRA P18433 1/20 0.47
CYP2C19 P33261 1/20 0.45
USP2 O75604 2/20 0.43
RGS12 O14924 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
THPO P40225 1/20 0.43
CASP7 P55210 1/20 0.43
GNAI1 P63096 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL17002633 1.00 GRIA2 (0.50) GRIA2PTPRACYP2C19USP2RGS12
SCHEMBL1817775 0.84 CYP1A2 (0.61) GRIA2PTPRACYP2C19ALDH1A1HPGD
SCHEMBL1817774 0.84 CYP1A2 (0.61) GRIA2PTPRACYP2C19ALDH1A1HPGD
SCHEMBL385176 0.84 GRIA2 (0.51) GRIA2PTPRACYP2C19USP2RGS12
SCHEMBL385177 0.84 GRIA2 (0.51) GRIA2PTPRACYP2C19USP2RGS12
SCHEMBL30959758 0.84 CYP1A2 (0.61) GRIA2PTPRACYP2C19ALDH1A1HPGD
SCHEMBL652018 0.83 GRIA2 (0.56) GRIA2PTPRACYP2C19CYP3A4CYP2C9
SCHEMBL28749966 0.83 ALDH1A1 (0.43) PKMKDM4EMEN1ALDH1A1LMNA
SCHEMBL17258287 0.81 ALDH1A1 (0.41) GRIA2ALOX15KDM4EALDH1A1TDP1
SCHEMBL17258288 0.81 ALDH1A1 (0.41) GRIA2ALOX15KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907818-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE Stella Pharma Corporation (JP) 2015-08-19 EP disclosed
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
CN-102482221-A Bicyclic and tricyclic compounds as KATII inhibitors PFIZER 2012-05-30 CN 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
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 GRIA2 46/4885PTPRA 3943/4885CYP2C19 2559/4885

“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.