Sugi Predict

Sugi Predict / Compounds / SCHEMBL6007044

SCHEMBL6007044

SCHEMBL6007044

CC(C)c1nc(C(C)c2ccc(N)cc2)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.33
▸ AGTR1 P30556 3/20 0.33
▸ AGTR2 P50052 3/20 0.33
▸ PPARG P37231 3/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ PDE7B Q9NP56 1/20 0.31
▸ USP1 O94782 1/20 0.31

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
SCHEMBL6007408 0.93 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL6006219 0.89 AGTR1 (0.32) ALOX5APAGTR1AGTR2PPARG
SCHEMBL6007695 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL6007153 0.89 ALOX5AP (0.41) ALOX5APPDE7APDE7B
SCHEMBL6007293 0.89 ALOX5AP (0.36) ALOX5APAGTR1AGTR2
SCHEMBL6004904 0.88 SMN1; SMN2 (0.35) AGTR1AGTR2PPARGPDE4APDE4B
SCHEMBL6005588 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL6007822 0.87 AGTR1 (0.38) ALOX5APAGTR1AGTR2
SCHEMBL6004962 0.86 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6008036 0.86 AGTR1 (0.37) AGTR1AGTR2PPARG

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 ALOX5AP 1963/4885AGTR1 2/4885AGTR2 3/4885
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 ALOX5AP 2026/4885AGTR1 2/4885AGTR2 3/4885

“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.