SCHEMBL12525397

SCHEMBL12525397

COCCOc1ncc(-c2cccc(CO)c2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 7/20 0.39
▸ NR4A2 P43354 1/20 0.37
▸ CHEK2 O96017 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ SCN9A Q15858 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ KRAS P01116 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ ADRB2 P07550 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 0.86 SCN9A (0.42) AOC3NR4A2LRRK2PDCD1CD274
SCHEMBL12525396 0.85 AOC3 (0.40) AOC3NR4A2LRRK2PDCD1CD274
SCHEMBL15000918 0.82 FFAR1 (0.41) AOC3
SCHEMBL15000542 0.81 NR4A2 (0.35) AOC3NR4A2LRRK2PDCD1CD274
SCHEMBL12526543 0.80 DGAT1 (0.41) AOC3NR4A2LRRK2PDCD1CD274
SCHEMBL15000915 0.80 AOC3 (0.41) AOC3NR4A2LRRK2KRASADRB2
SCHEMBL18430335 0.79 AOC3 (0.38) AOC3NR4A2LRRK2PDCD1CD274
SCHEMBL12525399 0.78 CYP11B1 (0.45) AOC3PDCD1CD274KRAS
SCHEMBL12526552 0.78 MYC (0.35) AOC3NR4A2LRRK2HIF1A
SCHEMBL12525395 0.78 AOC3 (0.37) AOC3NR4A2LRRK2SCN9AKCNH2

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 AOC3 700/4885NR4A2 4298/4885CHEK2 4749/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885NR4A2 4298/4885CHEK2 4749/4885

“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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