SCHEMBL12525396

SCHEMBL12525396

CCOc1ncc(-c2cccc(CO)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 8/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ F2RL3 Q96RI0 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL12525403 0.87 SCN9A (0.42) AOC3NR4A2F2RL3PDCD1CD274
SCHEMBL12525397 0.85 AOC3 (0.39) AOC3NR4A2PDCD1CD274LRRK2
SCHEMBL18430335 0.82 AOC3 (0.38) AOC3NR4A2PDCD1CD274LRRK2
SCHEMBL12526321 0.79 NR4A2 (0.48) AOC3NR4A2PDCD1CD274LRRK2
SCHEMBL12526579 0.78 KCNH2 (0.42) AOC3NR4A2PDCD1CD274LRRK2
SCHEMBL15000918 0.78 FFAR1 (0.41) AOC3KDM4EALDH1A1
SCHEMBL12525420 0.78 AOC3 (0.52) AOC3GRIN2BKDM4EALDH1A1
SCHEMBL15000979 0.77 AOC3 (0.47) AOC3NR4A2LRRK2
SCHEMBL12526333 0.76 AOC3 (0.49) AOC3
SCHEMBL12525399 0.76 CYP11B1 (0.45) AOC3PDCD1CD274GRIN1GRIN2B

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
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
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-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
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-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-8716470-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2014-05-06 — — US disclosed
US-20140100210-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-04-10 — — US disclosed
EP-2695881-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2014-02-12 — — EP disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 — — 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 (3 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 AOC3 700/4885NR4A2 4298/4885F2RL3 4690/4885
US-20140100210-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885NR4A2 4298/4885F2RL3 4690/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885NR4A2 4298/4885F2RL3 4690/4885

“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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