SCHEMBL6004882

SCHEMBL6004882

CCCc1nc(CNC(=O)OC(C)(C)C)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GFER P55789 3/20 0.42
ALDH1A1 P00352 1/20 0.41
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
DGAT1 O75907 1/20 0.38
KDM4A O75164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PARP1 P09874 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HTT P42858 1/20 0.34

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 0.92 LMNA (0.44) KDM4ELMNACYP1A2NPSR1GFER
SCHEMBL6006801 0.91 LMNA (0.43) KDM4ELMNACYP1A2NPSR1GFER
SCHEMBL6007089 0.89 KDM4E (0.46) KDM4ELMNACYP1A2NPSR1GFER
SCHEMBL6005843 0.83 LMNA (0.43) KDM4ELMNACYP1A2NPSR1GFER
SCHEMBL6004545 0.80 NPSR1 (0.44) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL6007018 0.80 NPSR1 (0.44) KDM4ELMNANPSR1GFERALDH1A1
SCHEMBL4726126 0.78 KDM4E (0.48) KDM4ELMNACYP1A2NPSR1GFER
SCHEMBL27903373 0.76 KDM4E (0.42) KDM4ELMNACYP1A2NPSR1GFER
SCHEMBL10186769 0.73 KDM4E (0.49) KDM4ELMNACYP1A2NPSR1GFER
SCHEMBL13977598 0.72 KDM4E (0.49) KDM4ELMNACYP1A2NPSR1GFER

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 KDM4E 559/4885LMNA 3347/4885CYP1A2 543/4885
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 KDM4E 591/4885LMNA 3351/4885CYP1A2 695/4885

“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.