SCHEMBL12525399

SCHEMBL12525399

OCc1cccc(-c2cnc(OCCc3cccnc3)nc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.45
▸ CYP11B2 P19099 7/20 0.45
▸ ELOVL1 Q9BW60 1/20 0.40
▸ KRAS P01116 4/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ AOC3 Q16853 2/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 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
SCHEMBL15000918 0.81 FFAR1 (0.41) CYP11B1CYP11B2AOC3
SCHEMBL16784899 0.79 AOC3 (0.50) CYP11B1CYP11B2PDCD1CD274AOC3
SCHEMBL12525395 0.79 AOC3 (0.37) CYP11B1CYP11B2ELOVL1AOC3
SCHEMBL12525397 0.78 AOC3 (0.39) KRASPDCD1CD274AOC3
SCHEMBL28210679 0.77 MKNK1 (0.49) CYP11B1CYP11B2PDCD1CD274MKNK1
SCHEMBL12525396 0.76 AOC3 (0.40) PDCD1CD274AOC3GRIN1GRIN2B
SCHEMBL12525403 0.75 SCN9A (0.42) PDCD1CD274AOC3
SCHEMBL18430335 0.73 AOC3 (0.38) PDCD1CD274AOC3
SCHEMBL15000915 0.72 AOC3 (0.41) KRASAOC3
SCHEMBL12526321 0.70 NR4A2 (0.48) PDCD1CD274AOC3GRIN2B

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 CYP11B1 3167/4885CYP11B2 3647/4885ELOVL1 1456/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB CYP11B1 3167/4885CYP11B2 3647/4885ELOVL1 1456/4885

“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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