SCHEMBL6005526

SCHEMBL6005526

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.38
MAOB P27338 2/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 1/20 0.34
AKT1 P31749 1/20 0.33
LMNA P02545 2/20 0.32
NR1H3 Q13133 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL6004904 0.93 SMN1; SMN2 (0.35) AGTR1AGTR2SMN1; SMN2NPC1CYP1A2
SCHEMBL6005700 0.93 AKT2 (0.36) AKT2AGTR1AGTR2SMN1; SMN2NPC1
SCHEMBL6007034 0.92 AKT2 (0.36) AKT2MAOBAGTR1AGTR2SMN1; SMN2
SCHEMBL6005518 0.89 SMN1; SMN2 (0.34) AGTR1AGTR2SMN1; SMN2NPC1CYP1A2
SCHEMBL6006697 0.88 AGTR1 (0.37) AGTR1AGTR2PPARGGAA
SCHEMBL6005749 0.87 AGTR1 (0.38) AKT2MAOBAGTR1AGTR2SMN1; SMN2
SCHEMBL6006838 0.87 AKT2 (0.39) AKT2MAOBAGTR1AGTR2SMN1; SMN2
SCHEMBL6008244 0.86 AGTR1 (0.39) AKT2MAOBAGTR1AGTR2SMN1; SMN2
SCHEMBL6006045 0.86 AGTR1 (0.41) AKT2MAOBAGTR1AGTR2SMN1; SMN2
SCHEMBL6006037 0.85 IDO1 (0.40) AGTR1SMN1; SMN2NPC1CYP1A2CYP3A4

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 AKT2 3997/4885MAOB 1085/4885AGTR1 2/4885
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 AKT2 4009/4885MAOB 1239/4885AGTR1 2/4885

“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.