SCHEMBL6005518

SCHEMBL6005518

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
AGTR1 P30556 3/20 0.33
AGTR2 P50052 3/20 0.33
PPARG P37231 1/20 0.33
NR1H3 Q13133 3/20 0.32
LMNA P02545 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
SENP6 Q9GZR1 1/20 0.32
NR1H2 P55055 2/20 0.32
PDE4A P27815 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
SCHEMBL6007028 0.92 AGTR1 (0.34) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6005700 0.91 AKT2 (0.36) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6004904 0.91 SMN1; SMN2 (0.35) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6005526 0.89 AKT2 (0.38) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6006835 0.88 SMN1; SMN2 (0.34) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6006041 0.88 AGTR1 (0.38) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6006690 0.88 PTGS2 (0.35) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6005748 0.87 AGTR1 (0.36) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6008085 0.86 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL6008238 0.86 AGTR1 (0.39) SMN1; SMN2NPC1CYP1A2CYP3A4CYP2C9

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 SMN1; SMN2 4593/4885NPC1 4749/4885CYP1A2 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 SMN1; SMN2 4565/4885NPC1 4699/4885CYP1A2 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.