SCHEMBL12526436

SCHEMBL12526436

COC1CN(c2ncc(N3CCN(C(=O)Cc4cccc(COC(=O)NC(=N)N)c4)CC3)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 11/20 0.52
▸ GFER P55789 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ME2 P23368 1/20 0.35
▸ ME1 P48163 1/20 0.35
▸ ME3 Q16798 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ PANK3 Q9H999 1/20 0.35

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
SCHEMBL12523866 0.90 AOC3 (0.56) AOC3
SCHEMBL16784987 0.86 AOC3 (0.49) AOC3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12523769 0.83 AOC3 (0.46) AOC3GFERKDM4EALDH1A1HPGD
SCHEMBL16785208 0.80 AOC3 (0.56) AOC3GFERKDM4EALDH1A1ME2
SCHEMBL16784992 0.79 AOC3 (0.46) AOC3
SCHEMBL14992346 0.79 AOC3 (0.81) AOC3
Hydrochloric Acid SCHEMBL14992647 0.78 AOC3 (0.79) AOC3
SCHEMBL12523878 0.77 AOC3 (0.77) AOC3
SCHEMBL12523867 0.76 AOC3 (0.51) AOC3
SCHEMBL12523863 0.76 AOC3 (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 — — EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — WO 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-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885GFER 3498/4885KDM4E 2318/4885

“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.

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