SCHEMBL16785276

SCHEMBL16785276

N=C(N)NC(=O)NCc1cccc(-c2cnc(N3CCCC(O)C3)nc2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 12/20 0.51
▸ ROCK2 O75116 1/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ DGAT2 Q96PD7 3/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CAMK1D Q8IU85 1/20 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
SCHEMBL16785061 0.95 AOC3 (0.54) AOC3ROCK2SLC2A1
SCHEMBL16785222 0.93 AOC3 (0.56) AOC3ROCK2SLC2A1
SCHEMBL18757054 0.91 AOC3 (0.51) AOC3ROCK2SLC2A1KDM4EDGAT2
SCHEMBL16785189 0.91 AOC3 (0.49) AOC3ROCK2SLC2A1
SCHEMBL12525457 0.90 AOC3 (0.50) AOC3ROCK2SLC2A1KDM4E
SCHEMBL16785234 0.90 AOC3 (0.49) AOC3ROCK2SLC2A1KDM4EDGAT2
SCHEMBL16785052 0.89 AOC3 (0.56) AOC3ROCK2SLC2A1
SCHEMBL16784930 0.88 AOC3 (0.48) AOC3ROCK2SLC2A1KDM4E
SCHEMBL16785258 0.88 AOC3 (0.50) AOC3ROCK2SLC2A1KDM4EDGAT2
SCHEMBL16784933 0.87 AOC3 (0.49) AOC3ROCK2SLC2A1KDM4EDGAT2

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 622/4885SLC2A1 129/4885

“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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