SCHEMBL423612

SCHEMBL423612

O=C(O)c1cc(COCc2ccccc2)nn1-c1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.43
SLC16A1 P53985 9/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 2/20 0.40
MCTS1 Q9ULC4 3/20 0.39
PPIA P62937 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL24948912 0.93 PTGS1 (0.42) SLC16A3SLC16A1PTGS1PTGS2MCTS1
SCHEMBL30234264 0.86 SLC16A3 (0.44) SLC16A3SLC16A1MCTS1
SCHEMBL25008759 0.86 SLC16A3 (0.44) SLC16A3SLC16A1MCTS1
SCHEMBL423980 0.84 SLC16A3 (0.39) SLC16A3SLC16A1GRNSORT1LMNA
SCHEMBL31060003 0.83 SLC16A3 (0.38) SLC16A3SLC16A1GRNSORT1LMNA
SCHEMBL2039732 0.83 SLC16A3 (0.38) SLC16A3SLC16A1GRNSORT1LMNA
Hydrochloric Acid SCHEMBL420241 0.83 SLC16A3 (0.38) SLC16A3SLC16A1GRNSORT1LMNA
SCHEMBL426107 0.83 SLC16A3 (0.39) SLC16A3SLC16A1PTGS1PTGS2POLB
SCHEMBL13084792 0.82 SLC16A3 (0.40) SLC16A3SLC16A1GRNSORT1ALDH1A1
SCHEMBL16014771 0.82 SLC16A3 (0.38) SLC16A3SLC16A1GRNSORT1LMNA

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 25 patents — showing the first 20. 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
EP-2456747-B1 Method for preparing alkoxyenones and enaminoketones BAYER CROPSCIENCE AG (DE) 2014-06-25 EP disclosed
EP-2456760-B1 Method for manufacturing aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2014-05-07 EP disclosed
US-20130131347-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 US disclosed
US-8399679-B2 Aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2013-03-19 US disclosed
US-8362261-B2 Process for preparing pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2013-01-29 US disclosed
US-20130018192-A1 Aryl-substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 US disclosed
EP-2456760-A1 PROCESS FOR PRODUCING ARYL-SUBSTITUTED PYRAZOLES Bayer CropScience AG (DE) 2012-05-30 EP disclosed
EP-2414345-A1 METHOD FOR PRODUCING PYRIDYL-SUBSTITUTED PYRAZOLES Bayer CropScience AG (DE) 2012-02-08 EP disclosed
US-20120022285-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof BAYER CROPSCIENCE AG (DE) 2012-01-26 US disclosed
US-20110087029-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20110028729-A1 Process for preparing aryl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2011-02-03 US disclosed
US-20110021782-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
WO-2011009552-A1 NOVEL ALKOXYENONES AND ENAMINOKETONES AND A METHOD FOR THE PRODUCTION THEREOF BAYER CROPSCIENCE AG (DE) 2011-01-27 WO disclosed
WO-2011009551-A1 PROCESS FOR PRODUCING ARYL-SUBSTITUTED PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-27 WO 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 (7 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 SLC16A3 1755/4885SLC16A1 2255/4885PTGS1 2348/4885
US-20130018192-A1 Aryl-substituted Pyrazoles WNK3, AHR, TYR SLC16A3 2108/4885SLC16A1 3429/4885PTGS1 3526/4885
US-20120022285-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof AKR7A2, CYP51A1, PDK3 SLC16A3 4068/4885SLC16A1 4722/4885PTGS1 3728/4885
US-20110028729-A1 Process for preparing aryl-substituted pyrazoles WNK3, WNK2, TYR SLC16A3 3138/4885SLC16A1 4128/4885PTGS1 3436/4885
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 SLC16A3 1755/4885SLC16A1 2255/4885PTGS1 2348/4885
US-20110087029-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 SLC16A3 1755/4885SLC16A1 2255/4885PTGS1 2348/4885
US-20110021782-A1 Novel alkoxy enones and enamino ketones and a process for preparation thereof AKR7A2, CYP51A1, PDK3 SLC16A3 4068/4885SLC16A1 4722/4885PTGS1 3728/4885

“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.