SCHEMBL683376

SCHEMBL683376

CCCOc1nc2c(C)sc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.51
PPARG P37231 4/20 0.50
AGTR1 P30556 1/20 0.49

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
SCHEMBL684048 0.94 AGTR2 (0.57) AGTR2PPARGAGTR1
SCHEMBL12894783 0.91 AGTR1 (0.50) PPARGAGTR1
SCHEMBL7012223 0.88 AGTR1 (0.39) AGTR2PPARGAGTR1
SCHEMBL684052 0.87 AGTR2 (0.60) AGTR2PPARGAGTR1
SCHEMBL683375 0.86 AGTR2 (0.67) AGTR2PPARGAGTR1
SCHEMBL7014653 0.86 AGTR1 (0.39) AGTR2PPARGAGTR1
SCHEMBL684058 0.85 AGTR1 (0.49) PPARGAGTR1
SCHEMBL683670 0.85 AGTR1 (0.49) PPARGAGTR1
SCHEMBL7014753 0.85 AGTR1 (0.39) AGTR2PPARGAGTR1
SCHEMBL9030827 0.84 AGTR1 (0.42) AGTR2PPARGAGTR1

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR2 2610/4885PPARG 156/4885AGTR1 3252/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR2 9/4885PPARG 622/4885AGTR1 8/4885

“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.