SCHEMBL534771

SCHEMBL534771

O=C(C#CCOc1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL9780150 0.83 KDM4E (0.46) ALOX15HDAC3HDAC4HDAC1HDAC7
SCHEMBL534139 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2ACA1
SCHEMBL8315005 0.77 KCNH2 (0.47) ALOX15KCNH2ALDH1A1KDM4EMEN1
SCHEMBL28542687 0.76 ALOX15 (0.46) ALOX15KCNH2KDM4EMEN1KMT2A
SCHEMBL9808291 0.73 KCNH2 (0.57) ALOX15HDAC3HDAC4HDAC1HDAC7
SCHEMBL1618118 0.70 KCNH2 (0.50) ALOX15HDAC3HDAC4HDAC1HDAC7
SCHEMBL10246513 0.70 KCNH2 (0.50) ALOX15HDAC3HDAC4HDAC1HDAC7
SCHEMBL1790840 0.69 KCNH2 (0.53) ALOX15HDAC3HDAC4HDAC1HDAC7
SCHEMBL5658080 0.69 ALDH1A1 (0.47) ALOX15KCNH2ALDH1A1KDM4EMEN1
SCHEMBL5658625 0.69 ALDH1A1 (0.50) ALOX15KCNH2ALDH1A1KDM4EMEN1

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
US-9340526-B2 Process for preparing pyridyl-substituted pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-17 US disclosed
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-09 US disclosed
US-8987460-B2 Process for preparing pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
EP-2414345-B1 Method for manufacturing Pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2014-09-17 EP disclosed
US-20130131347-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
US-8362261-B2 Process for preparing pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2013-01-29 US disclosed
US-20120136156-A2 PROCESS FOR PREPARING PYRIDYL-SUBSTITUTED PYRAZOLES BAYER CROPSCIENCE AG (DE) 2012-05-31 US disclosed
EP-2414345-A1 METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES Bayer CropScience AG (DE) 2012-02-08 EP disclosed
US-20110087029-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
EP-2243777-A1 Method for manufacturing Pyridyl-substituted pyrazoles Bayer CropScience AG (DE) 2010-10-27 EP disclosed
WO-2010112178-A1 METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-10-07 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 (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-20130131347-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 ALOX15 2597/4885HDAC3 601/4885HDAC4 1143/4885
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 ALOX15 2597/4885HDAC3 601/4885HDAC4 1143/4885
US-20110087029-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 ALOX15 2597/4885HDAC3 601/4885HDAC4 1143/4885
US-20120136156-A2 PROCESS FOR PREPARING PYRIDYL-SUBSTITUTED PYRAZOLES PDXK, PLK2, WNK3 ALOX15 2597/4885HDAC3 601/4885HDAC4 1143/4885

“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.