SCHEMBL2894347

SCHEMBL2894347

O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.50
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.44
VCAM1 P19320 2/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP6 P55212 1/20 0.43
SLC25A1 P53007 1/20 0.43
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL1790306 0.90 TSHR (0.49) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL3902768 0.90 DTYMK (0.51) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL8744103 0.89 ALDH1A1 (0.50) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL29596737 0.89 DTYMK (0.50) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL613001 0.89 ALDH1A1 (0.53) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL2977714 0.89 DTYMK (0.50) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL7749601 0.89 ALDH1A1 (0.53) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL11697530 0.88 DTYMK (0.60) DTYMKTSHRALDH1A1CYP3A4TDP1
Hydrochloric Acid SCHEMBL11773238 0.87 ALDH1A1 (0.51) DTYMKTSHRALDH1A1VCAM1CYP3A4
SCHEMBL611920 0.87 ALDH1A1 (0.51) DTYMKTSHRALDH1A1VCAM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 DTYMK 1012/4885TSHR 1645/4885ALDH1A1 204/4885

“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.