SCHEMBL12525403

SCHEMBL12525403

COc1ncc(-c2cccc(CO)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 3/20 0.42
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ AOC3 Q16853 4/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ PDCD1 Q15116 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38
▸ F2RL3 Q96RI0 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36

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
SCHEMBL12525396 0.87 AOC3 (0.40) SCN9ANR4A2AOC3PDCD1CD274
SCHEMBL12525397 0.86 AOC3 (0.39) SCN9ANR4A2AOC3KCNH2SCN5A
SCHEMBL15000918 0.82 FFAR1 (0.41) AOC3GRM2
SCHEMBL18430335 0.81 AOC3 (0.38) SCN9ANR4A2AOC3PDCD1CD274
SCHEMBL12526321 0.80 NR4A2 (0.48) NR4A2AOC3PDCD1CD274LRRK2
SCHEMBL12526579 0.79 KCNH2 (0.42) SCN9ANR4A2AOC3KCNH2PDCD1
SCHEMBL15000542 0.78 NR4A2 (0.35) NR4A2AOC3PDCD1CD274LRRK2
SCHEMBL12526543 0.77 DGAT1 (0.41) SCN9ANR4A2AOC3PDCD1CD274
SCHEMBL28210685 0.76 NR4A2 (0.44) ALOX5APFEN1NR4A2PDCD1CD274
SCHEMBL28210683 0.76 CYP11B1 (0.47) FYN

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 SCN9A 368/4885ALOX5AP 3008/4885FEN1 828/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB SCN9A 368/4885ALOX5AP 3008/4885FEN1 828/4885

“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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