SCHEMBL516887

SCHEMBL516887

Nc1nc(-n2nc(Sc3ccccn3)c3ccccc32)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 7/20 0.38
▸ MAPT P10636 6/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MGMT P16455 1/20 0.36
▸ HTT P42858 3/20 0.36
▸ MITF O75030 1/20 0.36
▸ PDE7A Q13946 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.34
▸ PAX8 Q06710 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL516215 0.89 MAPT (0.48) LMNAGAAKDM4EMAPTMEN1
SCHEMBL516529 0.85 KMT2A (0.37) LMNAGAAKDM4EALDH1A1MAPT
SCHEMBL15385066 0.83 KMT2A (0.35) LMNAGAAKDM4EALDH1A1MAPT
SCHEMBL516495 0.81 GUCY1A1 (0.38) LMNAKDM4EALDH1A1MAPTMGMT
SCHEMBL516543 0.78 GUCY1A1 (0.44) ALDH1A1MEN1KMT2AHTT
SCHEMBL7903070 0.77 GUCY1A1 (0.43) LMNAGAAKDM4EALDH1A1MAPT
SCHEMBL515093 0.73 NPY1R (0.38) LMNAGAAKDM4EALDH1A1MAPT
SCHEMBL516890 0.73 F12 (0.34) KDM4EMAPTHTTMITF
SCHEMBL20471469 0.70 LMNA (0.58) LMNAGAAKDM4EALDH1A1MAPT
SCHEMBL516244 0.68 RAB9A (0.48) KDM4EMAPTMEN1KMT2AMGMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 — — US disclosed
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-11-14 — — US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — US disclosed
US-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 — — US disclosed
EP-2385942-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES Bayer Pharma Aktiengesellschaft (DE) 2011-11-16 — — EP disclosed
US-20110254572-A1 CAPACITANCE-TYPE SENSOR FUJIKURA LTD. (JP) 2011-10-20 — — US disclosed
WO-2010079120-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 — — WO disclosed
WO-2010079120-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 — — 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-20120029002-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 LMNA 987/4885GAA 1564/4885KDM4E 3894/4885
US-20130303559-A1 BENZIMIDAZOLE AND PYRAZOLOPYRIDINE DERIVATIVES FOR TREATING AND/OR PREVENTING CARDIOVASCULAR DISEASES PKM, BRD3, TNNI3 LMNA 987/4885GAA 1564/4885KDM4E 3894/4885

“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.

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