SCHEMBL2494852

SCHEMBL2494852

C=CCc1ccnn1CCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.36
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
HTT P42858 5/20 0.34
LMNA P02545 4/20 0.34
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PABPC1 P11940 1/20 0.34
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL861630 0.80 SLC9A1 (0.40) SLC9A1NPC1RAB9AHTTLMNA
SCHEMBL16815457 0.78 SLC9A1 (0.39) SLC9A1MAPK1MPOTLR8CYP1A2
SCHEMBL16861288 0.75 SLC9A1 (0.37) SLC9A1ALDH1A1MAPK1HSP90AA1MPO
SCHEMBL9628160 0.74 CNR1 (0.34) SLC9A1NPC1RAB9AHTTLMNA
SCHEMBL4563226 0.74 SLC9A1 (0.40) SLC9A1NPC1RAB9AHTTLMNA
SCHEMBL10892388 0.74 NPC1 (0.39) NPC1RAB9AHTTLMNAAPOBEC3A
SCHEMBL13500287 0.74 SLC9A1 (0.39) SLC9A1ALDH1A1POLBMAPK1MAPT
SCHEMBL10376502 0.74 MAPK1 (0.40) SLC9A1RAB9AHTTLMNAGALR3
SCHEMBL22347413 0.73
SCHEMBL4553490 0.73 MAPK1 (0.44) HTTLMNAALDH1A1MAPK1NPSR1

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104334534-B Improved process for preparing 1-aryl-5-alkylpyrazole compounds 勃林格殷格翰动物保健美国公司 2020-01-10 CN claimed
CN-110452174-A Improved process for preparing 1-aryl-5-alkylpyrazole compounds MERIAL LTD 2019-11-15 CN claimed
EP-3184510-B1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL INC (US) 2019-06-12 EP claimed
EP-3184510-A1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS Merial, Inc. (US) 2017-06-28 EP claimed
US-9273007-B2 Processes for the preparation of 1-aryl-5-alkyl pyrazole compounds MERIAL, INC. (US) 2016-03-01 US claimed
EP-2035390-B1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL INC (US) 2015-12-09 EP claimed
EP-2852577-A2 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS Merial Limited (US) 2015-04-01 EP claimed
US-20150073153-A1 PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL LIMITED (US) 2015-03-12 US claimed
CN-104334534-A Improved process for preparing 1-aryl-5-alkylpyrazole compounds MERIAL LTD 2015-02-04 CN claimed
US-8937185-B2 Processes for the preparation of 1-aryl-5-alkyl pyrazole compounds MERIAL LIMITED (US) 2015-01-20 US claimed
CN-103483260-A 1-aryl-5-alkylpyrazole derivative compounds, methods of making and methods of use thereof AVENTIS AGRICULTURE 2014-01-01 CN claimed
US-20130281710-A1 PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL LIMITED (US) 2013-10-24 US claimed
WO-2013159094-A2 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL LIMITED (US) 2013-10-24 WO claimed
CN-101511795-B 1-aryl-5-alkylpyrazole derivative compounds, methods of making and methods of use thereof AVENTIS AGRICULTURE 2013-09-18 CN claimed
EP-2465851-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof Aventis Agriculture (FR) 2012-06-20 EP claimed
US-7759381-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE (FR) 2010-07-20 US claimed
CN-101511795-A 1-aryl-5-alkylpyrazole derivative compounds, methods of making and methods of use thereof AVENTIS AGRICULTURE (FR) 2009-08-19 CN claimed
EP-2035390-A2 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF Aventis Agriculture (FR) 2009-03-18 EP claimed
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. 2008-02-07 US claimed
WO-2008005489-A2 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2008-01-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20150073153-A1 PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS SULT1A1, CYP1B1, CYP2F1 SLC9A1 2745/4885NPC1 3268/4885RAB9A 1074/4885
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof CBR3, CBR1, NR5A2 SLC9A1 617/4885NPC1 846/4885RAB9A 828/4885
US-20130281710-A1 PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS SULT1A1, CYP1B1, CYP2F1 SLC9A1 2745/4885NPC1 3268/4885RAB9A 1074/4885

“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.