SCHEMBL683658

SCHEMBL683658

CCOc1nc2c(C)sc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.75
PPARG P37231 3/20 0.44
KCNH2 Q12809 1/20 0.44
AGTR1 P30556 3/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL683375 0.95 AGTR2 (0.67) AGTR2PPARGKCNH2AGTR1ABCC3
SCHEMBL684052 0.91 AGTR2 (0.60) AGTR2PPARGKCNH2AGTR1
SCHEMBL683705 0.90 AGTR2 (0.62) AGTR2PPARGKCNH2AGTR1ABCC3
SCHEMBL682534 0.90 AGTR2 (0.62) AGTR2PPARGAGTR1ABCC3ABCC4
SCHEMBL684048 0.86 AGTR2 (0.57) AGTR2PPARGKCNH2AGTR1
Azilsartan Medoxomil SCHEMBL683374 0.86 AGTR2 (1.00) AGTR2PPARGKCNH2AGTR1ABCC3
Azilsartan Medoxomil SCHEMBL29861385 0.86 AGTR2 (1.00) AGTR2PPARGKCNH2AGTR1ABCC3
Azilsartan Medoxomil SCHEMBL967309 0.85 AGTR2 (0.99) AGTR2PPARGKCNH2AGTR1ABCC3
Azilsartan Medoxomil SCHEMBL967313 0.85 AGTR2 (0.99) AGTR2PPARGKCNH2AGTR1ABCC3
Azilsartan Medoxomil SCHEMBL968583 0.85 AGTR2 (0.99) AGTR2PPARGKCNH2AGTR1ABCC3

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 4 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-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 156/4885KCNH2 4093/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR2 9/4885PPARG 622/4885KCNH2 2626/4885

“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.