SCHEMBL3254688

SCHEMBL3254688

Cn1cc(C=O)c(C(Cl)Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
DUSP3 P51452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 3/20 0.31
PTGS2 P35354 1/20 0.31
IMPDH2 P12268 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
GFER P55789 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL13183455 0.85 RAB9A (0.32) RAB9ASMN1; SMN2DUSP3L3MBTL1ALDH1A1
SCHEMBL12344019 0.82 PAK4 (0.35) RAB9ASMN1; SMN2DUSP3L3MBTL1ALDH1A1
SCHEMBL1586647 0.81 ALDH1A1 (0.33) RAB9ASMN1; SMN2DUSP3L3MBTL1ALDH1A1
Hydrazine SCHEMBL28089137 0.78 ERN1 (0.31) ALDH1A1MAPTGAAHTTERN1
SCHEMBL23723791 0.74
SCHEMBL21803067 0.71
SCHEMBL1085685 0.71 KDM4E (0.34) RAB9ASMN1; SMN2NPC1LMNARXFP1
SCHEMBL13645677 0.71 COMT (0.32) ALDH1A1LMNA
SCHEMBL308028 0.71
SCHEMBL29772829 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994043-A Preparation method of difluoro pyrazole acid 湖南斯派克科技股份有限公司 2024-11-22 CN disclosed
CN-117447401-B Synthesis method of difluoro pyrazole acid 山东国邦药业有限公司 2024-04-19 CN disclosed
CN-117447401-A Synthesis method of difluoro pyrazole acid 山东国邦药业有限公司 2024-01-26 CN disclosed
US-8785657-B2 Processes for the preparation of pyrazoles SYNGENTA CROP PROTECTION LLC (US) 2014-07-22 US disclosed
US-8785657-B2 Processes for the preparation of pyrazoles SYNGENTA CROP PROTECTION LLC (US) 2014-07-22 US disclosed
EP-1678141-B1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
EP-2192115-B1 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-02-12 EP disclosed
US-20130023668-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA CROP PROTECTION, LLC (US) 2013-01-24 US disclosed
US-20130023668-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA CROP PROTECTION, LLC (US) 2013-01-24 US disclosed
US-8269020-B2 Processes for the preparation of pyrazoles SYNGENTA CROP PROTECTION LLC (US) 2012-09-18 US disclosed
US-8269020-B2 Processes for the preparation of pyrazoles SYNGENTA CROP PROTECTION LLC (US) 2012-09-18 US disclosed
EP-2167461-B1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2012-08-08 EP disclosed
US-20100240907-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
US-20100240907-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 US disclosed
EP-2192115-A1 1,3-dimethylbutylcarboxanilides for controlling undesirable micro-organisms Bayer CropScience AG (DE) 2010-06-02 EP disclosed
WO-2009000441-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES SYNGENTA PARTICIPATIONS AG (CH) 2008-12-31 WO disclosed
EP-2008996-A1 Process for the production of pyrazoles Syngeta Participations AG (CH) 2008-12-31 EP disclosed
EP-2008996-A1 Process for the production of pyrazoles Syngeta Participations AG (CH) 2008-12-31 EP disclosed
EP-1678141-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 EP disclosed
WO-2005042492-A1 1,3-DIMETHYLBUTYL CARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 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 (2 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-20100240907-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES CYP2F1, CYP4F3, CYP4F11 RAB9A 815/4885SMN1; SMN2 4808/4885DUSP3 4265/4885
US-20130023668-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLES CYP2F1, CYP4F3, CYP4F11 RAB9A 884/4885SMN1; SMN2 4827/4885DUSP3 4268/4885

“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.