SCHEMBL2895332

SCHEMBL2895332

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.53
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TPMT P51580 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TTR P02766 1/20 0.47
HCAR3 P49019 7/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.42

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
SCHEMBL28401769 0.87 CASP6 (0.62) CASP6TSHRLMNACA1CA2
Hydrochloric Acid SCHEMBL28407796 0.85 CASP6 (0.60) CASP6TSHRLMNACA1CA2
SCHEMBL2901128 0.84 VCAM1 (0.48) CASP6TSHRCA1CA2TPMT
SCHEMBL10756347 0.84 CASP6 (0.55) CASP6TSHRLMNATPMTALDH1A1
SCHEMBL8841185 0.83 CASP6 (0.62) CASP6TSHRLMNATPMTALDH1A1
SCHEMBL452336 0.82 ALDH1A1 (0.58) CASP6TSHRLMNATPMTALDH1A1
SCHEMBL9706244 0.82 TTR (0.62) CASP6TSHRLMNATPMTALDH1A1
SCHEMBL27695049 0.81 CA1 (0.47) CASP6TSHRCA1CA2ALDH1A1
SCHEMBL2526416 0.81 CA1 (0.47) CASP6TSHRLMNACA1CA2
SCHEMBL2894998 0.81 TSHR (0.56) CASP6TSHRLMNATPMTALDH1A1

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 CASP6 3590/4885TSHR 1645/4885LMNA 3880/4885
US-20240132449-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 CASP6 610/4885TSHR 4327/4885LMNA 410/4885

“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.