SCHEMBL16785208

SCHEMBL16785208

N=C(N)NC(=O)OCc1cccc(CC(=O)N2CCN(c3cccnc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 10/20 0.56
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ ADAMTS5 Q9UNA0 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ ME2 P23368 1/20 0.40
▸ ME1 P48163 1/20 0.40
▸ ME3 Q16798 1/20 0.40
▸ GRM5 P41594 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
SCHEMBL12524392 0.90 AOC3 (0.69) AOC3LMNASMN1; SMN2TP53GFER
SCHEMBL16785198 0.82 AOC3 (0.55) AOC3LMNASMN1; SMN2TP53GFER
SCHEMBL16784987 0.82 AOC3 (0.49) AOC3ALDH1A1KDM4E
SCHEMBL12526436 0.80 AOC3 (0.52) AOC3GFERALDH1A1KDM4EME2
SCHEMBL16785186 0.80 AOC3 (0.68) AOC3LMNASMN1; SMN2TP53GFER
SCHEMBL12523777 0.79 ALDH1A1 (0.50) AOC3GFERADAMTS5ALDH1A1KDM4E
SCHEMBL15662727 0.76 AOC3 (0.78) AOC3
SCHEMBL16785122 0.74 AOC3 (0.70) AOC3LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16785195 0.74 AOC3 (0.49) AOC3KDM4E
SCHEMBL16785191 0.73 AOC3 (0.53) 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 700/4885LMNA 1578/4885SMN1; SMN2 679/4885

“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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