SCHEMBL9935396

SCHEMBL9935396

O=C(NN(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1cc(-c2cnccn2)n[nH]1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 17/20 0.59
▸ ACE P12821 3/20 0.58
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43

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
SCHEMBL9935395 1.00 MME (0.59) MMEACEHDAC3HDAC4HDAC1
SCHEMBL9935467 0.90 MME (0.60) MMEACEHDAC3HDAC4HDAC1
SCHEMBL9935472 0.90 MME (0.60) MMEACEHDAC3HDAC4HDAC1
SCHEMBL11969155 0.85 MME (0.49) MMEACEHDAC3HDAC4HDAC1
SCHEMBL11969147 0.85 MME (0.49) MMEACEHDAC3HDAC4HDAC1
SCHEMBL9934736 0.84 MME (0.61) MMEACE
SCHEMBL9934732 0.84 MME (0.61) MMEACE
SCHEMBL9934777 0.84 MME (0.65) MMEACE
SCHEMBL9934774 0.84 MME (0.65) MMEACE
SCHEMBL9935853 0.84 MME (0.60) MMEACE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873696-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 — — US disclosed
US-20170217959-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-03 — — US disclosed
US-9555041-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-01-31 — — US disclosed
US-20160184316-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-06-30 — — US disclosed
US-9120758-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-09-01 — — US disclosed
EP-2651900-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-08-19 — — EP disclosed
US-20140011997-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-01-09 — — US disclosed
US-8563512-B2 Neprilysin inhibitors THERAVANCE, INC. (US) 2013-10-22 — — US disclosed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 — — US 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 (4 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-20140011997-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885HDAC3 1294/4885
US-20160184316-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885HDAC3 1294/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885HDAC3 1294/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE MME 1/4885ACE 3/4885HDAC3 1294/4885

“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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