SCHEMBL683370

SCHEMBL683370

COc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.61
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2C9 P11712 1/20 0.55
ADRB3 P13945 1/20 0.55
ADRA2B P18089 1/20 0.55
SLC6A2 P23975 1/20 0.55
TBXAS1 P24557 1/20 0.55
HTR2C P28335 1/20 0.55
AGTR1 P30556 1/20 0.55
PPARG P37231 1/20 0.55
HTR2B P41595 1/20 0.55
PDE3A Q14432 1/20 0.55
LTB4R2 Q9NPC1 1/20 0.55

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
Azilsartan SCHEMBL29687472 0.91 AGTR2 (0.72) AGTR2ABCB11EGFRERBB2CYP3A4
Azilsartan SCHEMBL167538 0.91 AGTR2 (0.72) AGTR2ABCB11EGFRERBB2CYP3A4
Azilsartan SCHEMBL969381 0.91 AGTR2 (0.71) AGTR2ABCB11EGFRERBB2CYP3A4
Azilsartan SCHEMBL15552225 0.91 AGTR2 (0.71) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL683647 0.90 AGTR2 (0.64) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL18087887 0.89 AGTR2 (0.59) AGTR2
SCHEMBL18088504 0.88 AGTR2 (0.56) AGTR2
SCHEMBL684043 0.88 AGTR2 (0.59) AGTR2
SCHEMBL7015932 0.87 ABCB11 (0.56) AGTR2ABCB11EGFRERBB2CYP3A4
SCHEMBL683348 0.86 PPARG (0.59) PPARG

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 2610/4885ABCB11 4659/4885EGFR 2001/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR2 9/4885ABCB11 4566/4885EGFR 879/4885

“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.