SCHEMBL1376488

SCHEMBL1376488

COc1ccc(C(=O)CC(OC)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
GSK3B P49841 1/20 0.54
PDE4B Q07343 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.50
PPARG P37231 1/20 0.49

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
SCHEMBL10778298 0.85 KMT2A (0.54) L3MBTL1GSK3BNPC1RAB9AMAPT
SCHEMBL19642535 0.84 GSK3B (0.65) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8038291 0.84 KMT2A (0.59) L3MBTL1GSK3BNPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL27416693 0.82 KMO (0.55) L3MBTL1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL27416694 0.82 KMO (0.55) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1376745 0.81 L3MBTL1 (0.58) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10780575 0.81 L3MBTL1 (0.58) L3MBTL1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL28047842 0.81 HDAC3 (0.59) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7797596 0.80 L3MBTL1 (0.56) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7802060 0.80 L3MBTL1 (0.56) L3MBTL1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
EP-2502918-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-09-26 EP disclosed
US-8247414-B2 Pyridizinone derivatives and the use thereof as H3 inhibitors CEPHALON, INC. (US) 2012-08-21 US disclosed
US-8207168-B2 Pyridazinone derivatives CEPHALON, INC. (US) 2012-06-26 US disclosed
US-20110288075-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2011-11-24 US disclosed
US-20100280007-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-11-04 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
EP-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 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 (5 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-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 L3MBTL1 4806/4885HDAC3 24/4885HDAC4 39/4885
US-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 L3MBTL1 3735/4885HDAC3 484/4885HDAC4 211/4885
US-20110288075-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 L3MBTL1 3486/4885HDAC3 411/4885HDAC4 177/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 L3MBTL1 3510/4885HDAC3 368/4885HDAC4 175/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 L3MBTL1 3735/4885HDAC3 484/4885HDAC4 211/4885

“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.