SCHEMBL2561353

SCHEMBL2561353

Clc1cccc2c1C1C=CC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 8/20 0.37
HTR2A P28223 4/20 0.37
HTR2B P41595 3/20 0.37
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35
CACNB2 Q08289 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL11738033 0.75 CHRNB2 (0.46) HTR2CHTR2AHTR2BHTR1ARECQL
SCHEMBL4404195 0.75 CHRNB2 (0.46) HTR2CHTR2B
SCHEMBL4689201 0.75
SCHEMBL853286 0.71 CHRNB4 (0.40) HTR2AMEN1KMT2A
SCHEMBL4402527 0.71 MEN1 (0.38) CYP2A6MEN1KMT2A
Water SCHEMBL7405955 0.69 CACNB4 (0.39) SMN1; SMN2HTR2CHTR2AHTR2BCACNB4
Bromide SCHEMBL8344294 0.69 CACNB4 (0.39) SMN1; SMN2HTR2CHTR2AHTR2BCACNB4
SCHEMBL14825017 0.67 ACHE (0.45) SMN1; SMN2HTR2CHTR2AHTR2BCACNB4
SCHEMBL14682288 0.65 HTR2C (0.40) SMN1; SMN2HTR2CHTR2AHTR2BCACNB4
SCHEMBL11533051 0.65 CHRNB2 (0.47) HTR2CHTR2AHTR2BCACNB4CACNA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560959-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-20 EP disclosed
EP-2560959-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-20 EP disclosed
US-8519152-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
US-8519152-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
US-8519152-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
EP-2560959-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2013-02-27 EP disclosed
US-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-07 US disclosed
US-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-07 US disclosed
US-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-07 US disclosed
WO-2011131545-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-10-27 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 (1 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-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES F5, F12, F9 SMN1; SMN2 4782/4885HTR2C 3918/4885HTR2A 4378/4885

“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.