SCHEMBL16785117

SCHEMBL16785117

N=C(N)NC(=O)OCc1cccc(-c2cnc(N3CCOCC3)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 10/20 0.50
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ HCAR1 Q9BXC0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL12526736 0.83 AOC3 (0.71) AOC3
SCHEMBL16785266 0.81 AOC3 (0.53) AOC3PRKDCMRGPRX4
Cadaverine Tartrate SCHEMBL14992427 0.80 AOC3 (0.74) AOC3
SCHEMBL12526491 0.78 AOC3 (0.58) AOC3
SCHEMBL12524431 0.78 AOC3 (0.55) AOC3
SCHEMBL12523775 0.77 LRRK2 (0.50) RAF1BRAFPRKDCSMN1; SMN2GAA
SCHEMBL16784952 0.76 AOC3 (0.54) AOC3
SCHEMBL16785135 0.74 AOC3 (0.58) AOC3
SCHEMBL16784987 0.72 AOC3 (0.49) AOC3ALDH1A1KDM4EGAA
SCHEMBL16784967 0.72 AOC3 (0.73) 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 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 700/4885RAF1 651/4885BRAF 1526/4885

“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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