SCHEMBL12526733

SCHEMBL12526733

N=C(N)NC(=O)NCc1cccc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 8/20 0.53
▸ SRC P12931 1/20 0.50
▸ ERCC1 P07992 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL16785028 0.87 AOC3 (0.51) AOC3SRCJAK2JAK1TYK2
SCHEMBL12523890 0.86 STAT6 (0.54) AOC3SRCJAK2JAK1NAMPT
SCHEMBL14993252 0.86 AOC3 (0.66) AOC3SRC
SCHEMBL16785236 0.83 AOC3 (0.65) AOC3SRC
SCHEMBL11427269 0.82 AOC3 (0.64) AOC3SRCERCC1ERCC4JAK2
SCHEMBL16785266 0.82 AOC3 (0.53) AOC3SRC
Oxalic Acid SCHEMBL10317843 0.80 AOC3 (0.65) AOC3SRCERCC1ERCC4JAK2
SCHEMBL12525462 0.78 AOC3 (0.61) AOC3NAMPT
SCHEMBL16785174 0.78 AOC3 (0.55) AOC3SRCTRPV1
Oxalic Acid SCHEMBL10317845 0.77 AOC3 (0.59) AOC3SRCJAK2JAK1TYK2

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 7 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
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 700/4885SRC 4602/4885ERCC1 1176/4885

“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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