SCHEMBL2897142

SCHEMBL2897142

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

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
GSK3B P49841 1/20 0.59
CYP19A1 P11511 1/20 0.56
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
NOS1 P29475 1/20 0.54
HTR1A P08908 1/20 0.53
CES1 P23141 1/20 0.53
MEN1 O00255 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL4875447 0.94 POLB (0.82) POLBGSK3BALDH1A1LMNAHTR1A
SCHEMBL298658 0.92 GSK3B (0.73) POLBGSK3BCYP19A1KMT2AALDH1A1
SCHEMBL27580337 0.89 POLB (0.60) POLBGSK3BCYP19A1KMT2AALDH1A1
SCHEMBL4039612 0.89 POLB (0.64) POLBGSK3BKMT2AALDH1A1LMNA
SCHEMBL287513 0.89 KCNJ1 (0.73) POLB
Hydrochloric Acid SCHEMBL4474974 0.86 ALDH1A1 (0.70) POLBKMT2AALDH1A1LMNA
SCHEMBL4874442 0.86 POLB (0.71) POLBKMT2AALDH1A1HPGDLMNA
SCHEMBL4812111 0.81 KMT2A (0.52) POLBKMT2AALDH1A1LMNANOS1
SCHEMBL4817412 0.80 ALDH1A1 (0.55) POLBKMT2AALDH1A1LMNA
SCHEMBL9384076 0.80 POLB (0.57) POLBKMT2AALDH1A1HPGDHTR1A

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 5 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
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 POLB 4811/4885GSK3B 2093/4885CYP19A1 4155/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 POLB 4811/4885GSK3B 2093/4885CYP19A1 4155/4885

“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.