SCHEMBL6006801

SCHEMBL6006801

CCCCCc1nc(CNC(=O)OC(C)(C)C)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GFER P55789 3/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
DDX3X O00571 1/20 0.35
HTT P42858 1/20 0.35
KDM4A O75164 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PARP1 P09874 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6006605 0.96 LMNA (0.44) LMNAKDM4EMAPTCYP1A2NPSR1
SCHEMBL6004882 0.91 KDM4E (0.46) LMNAKDM4ECYP1A2NPSR1GFER
SCHEMBL6005843 0.90 LMNA (0.43) LMNAKDM4EMAPTCYP1A2NPSR1
SCHEMBL6007018 0.84 NPSR1 (0.44) LMNAKDM4EMAPTNPSR1GFER
SCHEMBL6004545 0.84 NPSR1 (0.44) LMNAKDM4EMAPTNPSR1GFER
SCHEMBL6007089 0.83 KDM4E (0.46) LMNAKDM4ECYP1A2NPSR1GFER
SCHEMBL4726126 0.75 KDM4E (0.48) LMNAKDM4ECYP1A2NPSR1GFER
SCHEMBL27903373 0.73 KDM4E (0.42) LMNAKDM4ECYP1A2NPSR1GFER
SCHEMBL6007172 0.71 TSHR (0.39) LMNAKDM4EMAPTALDH1A1TSHR
SCHEMBL10186769 0.70 KDM4E (0.49) LMNAKDM4ECYP1A2NPSR1GFER

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
US-7132437-B2 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE (US) 2006-11-07 US disclosed
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO., 2004-11-04 US disclosed
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO. 2004-06-24 US disclosed
US-5217985-A RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 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-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 LMNA 3347/4885KDM4E 559/4885MAPT 4850/4885
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 LMNA 3351/4885KDM4E 591/4885MAPT 4832/4885

“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.