SCHEMBL14045019

SCHEMBL14045019

CC(=O)Nc1nc(CCc2ccc(NC(=N)N)cc2)c(CN2CCN(S)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.47
OGA O60502 5/20 0.41

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
SCHEMBL14019554 0.91 AOC3 (0.47) AOC3OGA
Hydrochloric Acid SCHEMBL4874098 0.90 AOC3 (0.47) AOC3OGA
SCHEMBL14019559 0.90 AOC3 (0.47) AOC3OGA
Hydrochloric Acid SCHEMBL4873270 0.89 AOC3 (0.48) AOC3
SCHEMBL14019616 0.89 AOC3 (0.47) AOC3
SCHEMBL14019621 0.89 AOC3 (0.45) AOC3OGA
SCHEMBL14019555 0.89 AOC3 (0.49) AOC3
SCHEMBL14019617 0.89 AOC3 (0.45) AOC3OGA
Hydrochloric Acid SCHEMBL4871112 0.88 AOC3 (0.47) AOC3
SCHEMBL14019615 0.88 AOC3 (0.46) AOC3

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-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB AOC3 202/4885OGA 1488/4885

“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.