SCHEMBL2901128

SCHEMBL2901128

COC(=O)c1cc(Br)c(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
TPMT P51580 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.45
HPGD P15428 2/20 0.44
HCAR3 P49019 2/20 0.42
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 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
SCHEMBL2901090 0.91 VCAM1 (0.50) VCAM1TPMTMAPTKDM4EABL1
SCHEMBL2895332 0.84 CASP6 (0.53) TPMTMAPTHCAR3TSHRCA1
SCHEMBL29407123 0.83 VCAM1 (0.51) VCAM1TPMTMAPTKDM4EABL1
SCHEMBL28690833 0.83 VCAM1 (0.51) VCAM1TPMTMAPTKDM4EABL1
SCHEMBL27202793 0.82 VCAM1 (0.43) VCAM1MAPTKDM4EABL1HPGD
SCHEMBL2900847 0.82 MAPT (0.49) VCAM1TPMTMAPTKDM4EHPGD
SCHEMBL2897295 0.82 TPMT (0.51) VCAM1TPMTMAPTKDM4EHPGD
SCHEMBL443827 0.82 MEN1 (0.51) VCAM1TPMTMAPTKDM4EABL1
SCHEMBL443612 0.82 ALDH1A1 (0.51) VCAM1TPMTMAPTKDM4EABL1
SCHEMBL30153000 0.82 MEN1 (0.51) VCAM1TPMTMAPTKDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132449-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-04-25 US disclosed
WO-2024050370-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-03-07 WO disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 VCAM1 3022/4885TPMT 234/4885MAPT 4643/4885
US-20240132449-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 VCAM1 2811/4885TPMT 228/4885MAPT 4689/4885

“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.