SCHEMBL497946

SCHEMBL497946

CCCCc1nc(Cl)c(C(O)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.39
AGTR2 P50052 2/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
BRS3 P32247 3/20 0.37
GP6 Q9HCN6 1/20 0.36
MME P08473 1/20 0.36

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
SCHEMBL28769964 0.90 AGTR1 (0.36) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL6081463 0.87 AGTR1 (0.35) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL6081457 0.86 AGTR1 (0.36) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL27371509 0.85 BRS3 (0.32) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL6082737 0.81 BRS3 (0.35) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL6953051 0.77 HSD11B1 (0.47) AGTR1AGTR2BRS3
SCHEMBL9251216 0.75 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL15310211 0.75 AGTR1 (0.35) AGTR1AGTR2BRS3
SCHEMBL3347428 0.74 GP6 (0.54) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL7050688 0.74 AGTR1 (0.34) AGTR1AGTR2ABCC4ABCB11PDE3B

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-8106034-B2 Angiotensin II receptor antagonists MERCK SHARP & DOHME CORP. (US) 2012-01-31 US disclosed
US-20100298277-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-11-25 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-20100298277-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, NR3C2 AGTR1 1/4885AGTR2 2/4885ABCC4 1704/4885

“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.