SCHEMBL534139

SCHEMBL534139

O=C(C#CCOCc1ccccc1)C(Cl)(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP2 P08253 2/20 0.49
MMP12 P39900 2/20 0.49
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL534570 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL1610702 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL1609495 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL6508653 0.75 TSHR (0.67) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL16636936 0.71 HDAC3 (0.54) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL3268152 0.71 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL13259140 0.69 TSHR (0.56) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL7772144 0.69 TSHR (0.56) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL3682764 0.69 TSHR (0.56) ALDH1A1SMN1; SMN2MMP2MMP12TSHR
SCHEMBL394787 0.68 TSHR (0.61) ALDH1A1SMN1; SMN2MMP2MMP12TSHR

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 ALDH1A1 715/4885SMN1; SMN2 4424/4885MMP2 3741/4885
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 ALDH1A1 715/4885SMN1; SMN2 4424/4885MMP2 3741/4885
US-20110087029-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 ALDH1A1 715/4885SMN1; SMN2 4424/4885MMP2 3741/4885
US-20120136156-A2 PROCESS FOR PREPARING PYRIDYL-SUBSTITUTED PYRAZOLES PDXK, PLK2, WNK3 ALDH1A1 715/4885SMN1; SMN2 4424/4885MMP2 3741/4885

“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.