SCHEMBL1070849

SCHEMBL1070849

O=C(O)c1c(Br)ccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP6 P55212 1/20 0.44
GPR35 Q9HC97 1/20 0.42
TSHR P16473 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
DTYMK P23919 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37

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
SCHEMBL28811434 0.85 TDP1 (0.51) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL4849618 0.85 TDP1 (0.55) TDP1L3MBTL1CASP6GPR35TSHR
SCHEMBL2956655 0.82 GPR35 (0.42) TDP1L3MBTL1GPR35TSHRCA1
SCHEMBL23985860 0.81 TSHR (0.51) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL2532517 0.81 TDP1 (0.44) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL14278539 0.81 DPP4 (0.40) TDP1L3MBTL1TSHRALDH1A1CYP2D6
SCHEMBL1070965 0.80 SMN1; SMN2 (0.49) TDP1L3MBTL1GPR35TSHRPOLB
SCHEMBL537538 0.80 DTYMK (0.49) TDP1L3MBTL1CASP6GPR35TSHR
SCHEMBL20472291 0.80 GPR35 (0.52) TDP1L3MBTL1CASP6GPR35TSHR
Hydrochloric Acid SCHEMBL21624528 0.79 TDP1 (0.42) TDP1L3MBTL1CASP6TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039895-A1 PROLYL HYDROXYLASE INHIBITORS Glaxo Smith Kline LLC., a corporation 2011-02-17 US disclosed
EP-2273879-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2011-01-19 EP disclosed
WO-2009134850-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-05 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-20110039895-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN3, EGLN2 TDP1 3484/4885L3MBTL1 2303/4885CASP6 3791/4885

“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.