SCHEMBL12526552

SCHEMBL12526552

CCN(CCOC)c1ncc(-c2cccc(CO)c2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.35
▸ PIK3CA P42336 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ AOC3 Q16853 2/20 0.33
▸ CRHR1 P34998 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAP4K4 O95819 1/20 0.31

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
SCHEMBL15000542 0.94 NR4A2 (0.35) NR4A2AOC3CRHR1DYRK1ALRRK2
SCHEMBL12526543 0.86 DGAT1 (0.41) PIK3CAHDAC1NR4A2DGAT1AOC3
SCHEMBL12526560 0.80 NR4A2 (0.39) NR4A2AOC3HIF1APTGDR2LRRK2
SCHEMBL17656752 0.79 AOC3 (0.46) PIK3CAHDAC1DGAT1AOC3
SCHEMBL12525397 0.78 AOC3 (0.39) NR4A2AOC3HIF1ALRRK2
SCHEMBL12526579 0.78 KCNH2 (0.42) NR4A2AOC3LRRK2
SCHEMBL15000467 0.75 NR4A2 (0.35) NR4A2AOC3DYRK1ALRRK2
SCHEMBL12525403 0.75 SCN9A (0.42) NR4A2AOC3LRRK2
SCHEMBL12525396 0.74 AOC3 (0.40) NR4A2AOC3LRRK2
SCHEMBL20244784 0.73 SCN9A (0.32) 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 11 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
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-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
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 — — 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 (2 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-20130143860-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB MYC 3038/4885PIK3CA 3016/4885HDAC1 2830/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB MYC 3038/4885PIK3CA 3016/4885HDAC1 2830/4885

“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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