SCHEMBL13199726

SCHEMBL13199726

CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.59
AGTR1 P30556 2/20 0.59

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
SCHEMBL5864904 0.86 AGTR1 (0.60) AGTR2AGTR1
SCHEMBL13262878 0.85 AGTR2 (0.56) AGTR2AGTR1
SCHEMBL13196536 0.84 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL11098564 0.82 AGTR1 (0.55) AGTR2AGTR1
SCHEMBL29308427 0.74 AGTR2 (0.65) AGTR2AGTR1
SCHEMBL9194373 0.74 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL708 0.73 AGTR1 (0.80) AGTR2AGTR1
SCHEMBL8565506 0.72 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL9468705 0.72 AGTR1 (0.78) AGTR2AGTR1
SCHEMBL30543045 0.71 ALDH1A1 (0.58)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563586-B2 1,(3,)5-substituted imidazoles, their use in the treatment of hypertension and methods for their preparation ELDRUG S.A. (GR) 2013-10-22 US disclosed
US-20100216854-A1 1,3 AND 1,3,5 SUBSTITUTED IMIDAZOLES AS ANTIHYPERTENSIVES ELDRUG S.A. (GR) 2010-08-26 US disclosed
US-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION ELDRUG S.A. (GR) 2010-07-01 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 (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-20100216854-A1 1,3 AND 1,3,5 SUBSTITUTED IMIDAZOLES AS ANTIHYPERTENSIVES AGTR1, AGTR2, ADRB3 AGTR2 2/4885AGTR1 1/4885
US-20100166837-A1 1,(3,)5-SUBSTITUTED IMIDAZOLES, THEIR USE IN THE TREATMENT OF HYPERTENSION AND METHODS FOR THEIR PREPARATION AGTR1, AGTR2, AGT AGTR2 2/4885AGTR1 1/4885

“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.