SCHEMBL16784931

SCHEMBL16784931

N=C(N)NC(=O)NCc1cccc(-c2cnc(N3CCN(CCO)CC3)nc2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 18/20 0.49
▸ ROCK2 O75116 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ MDM2 Q00987 1/20 0.39

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
SCHEMBL16785052 0.88 AOC3 (0.56) AOC3ROCK2
SCHEMBL16785027 0.88 AOC3 (0.51) AOC3ROCK2
SCHEMBL16785046 0.87 AOC3 (0.48) AOC3ROCK2ALDH1A1MDM2
SCHEMBL16785284 0.87 AOC3 (0.52) AOC3ROCK2
SCHEMBL16785287 0.86 AOC3 (0.55) AOC3ROCK2
SCHEMBL12525459 0.86 AOC3 (0.49) AOC3ROCK2
SCHEMBL14993252 0.86 AOC3 (0.66) AOC3ROCK2
SCHEMBL16784922 0.85 AOC3 (0.49) AOC3ROCK2
SCHEMBL12525461 0.84 AOC3 (0.51) AOC3ROCK2
SCHEMBL12525466 0.84 ROCK2 (0.47) AOC3ROCK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
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
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 — — 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

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 700/4885ROCK2 622/4885ALDH1A1 1249/4885

“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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