SCHEMBL6008026

SCHEMBL6008026

CC(C)Cc1nc(Cc2ccccc2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.55
AGTR2 P50052 11/20 0.55
FOLH1 Q04609 1/20 0.44
DHODH Q02127 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL9532017 0.89 AGTR1 (0.55) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL6859807 0.89 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9527916 0.89 AGTR1 (0.53) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9528290 0.84 AGTR1 (0.49) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9532478 0.84 AGTR1 (0.54) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL9736561 0.84 AGTR1 (0.55) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL9528902 0.83 AGTR1 (0.49) AGTR1AGTR2FOLH1DHODH
SCHEMBL9738059 0.83 AGTR1 (0.50) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL9738055 0.83 AGTR1 (0.50) AGTR1AGTR2FOLH1DHODHLTB4R
SCHEMBL6005987 0.81 AGTR1 (0.73) AGTR1AGTR2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 AGTR1 2/4885AGTR2 3/4885FOLH1 48/4885

“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.