SCHEMBL298658

SCHEMBL298658

O=C(CBr)c1ccc([N+](=O)[O-])cc1.O=C(CN1CCN(CC(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.73
POLB P06746 1/20 0.64
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
CYP19A1 P11511 1/20 0.50
HTR1A P08908 1/20 0.48
NOS1 P29475 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2897142 0.92 POLB (0.72) GSK3BPOLBALDH1A1KMT2AHPGD
SCHEMBL4875447 0.87 POLB (0.82) GSK3BPOLBALDH1A1HTR1ALMNA
SCHEMBL73490 0.86 GSK3B (1.00) GSK3BALDH1A1LMNATDP1
SCHEMBL4039612 0.82 POLB (0.64) GSK3BPOLBALDH1A1KMT2ALMNA
SCHEMBL27580337 0.82 POLB (0.60) GSK3BPOLBALDH1A1KMT2ACYP19A1
SCHEMBL287513 0.82 KCNJ1 (0.73) POLB
SCHEMBL7369237 0.81 GSK3B (0.89) GSK3BPOLBALDH1A1TDP1
Methylsulfanylmethane SCHEMBL28782214 0.81 GSK3B (0.89) GSK3BALDH1A1KMT2AMAPTTDP1
SCHEMBL4874442 0.80 POLB (0.71) POLBALDH1A1KMT2AHPGDHTR1A
Hydrochloric Acid SCHEMBL4474974 0.80 ALDH1A1 (0.70) POLBALDH1A1KMT2ALMNAMAPT

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
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US 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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GSK3B 2093/4885POLB 4811/4885ALDH1A1 1376/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GSK3B 2093/4885POLB 4811/4885ALDH1A1 1376/4885

“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.