SCHEMBL3607828

SCHEMBL3607828

CCCC[Sn](CCCC)(CCCC)c1sccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.c1ccc(Cc2sccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38

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
SCHEMBL3328509 0.92 AGTR1 (0.39) AGTR1
SCHEMBL3326379 0.85 AGTR1 (0.35) AGTR1
SCHEMBL3601295 0.76 AGTR1 (0.38) AGTR1
SCHEMBL13299076 0.70 MAPK8 (0.43) AGTR1
SCHEMBL3324438 0.69 AGTR1 (0.33) AGTR1
SCHEMBL3328548 0.67 AGTR1 (0.32) AGTR1
SCHEMBL3328799 0.67 AGTR1 (0.37) AGTR1
SCHEMBL3329106 0.67 PTGS2 (0.37) AGTR1
SCHEMBL6047203 0.65 PTGS2 (0.38)
SCHEMBL3610158 0.65 HSD17B1 (0.40) AGTR1

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-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 AGTR1 912/4885

“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.