SCHEMBL4668535

SCHEMBL4668535

N#CC(=NN(Cl)c1ccc(C(F)(F)F)cc1Cl)C(C#N)SC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6258555 0.76 PDE2A (0.39) PDE2AALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL5743667 0.73 ALDH1A1 (0.34) PDE2AALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL6576617 0.67
SCHEMBL9704905 0.66 MAPT (0.39) PDE2AALDH1A1HTTSMN1; SMN2
SCHEMBL5744940 0.65 MRGPRX4 (0.37) PDE2AALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL9704423 0.64 MRGPRX4 (0.33) MRGPRX4
SCHEMBL10437726 0.64 MAPT (0.37) PDE2AALDH1A1HTT
SCHEMBL9703422 0.63 MRGPRX4 (0.34) ALDH1A1HTTSMN1; SMN2MRGPRX4
SCHEMBL9768338 0.63 PDE2A (0.38) PDE2AALDH1A1MRGPRX4
SCHEMBL9704767 0.61 PDE2A (0.37) PDE2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323574-B2 Process for the preparation of phenyl pyrazole compounds BASF AGRO B.V. ARNHEM (CH) 2008-01-29 US disclosed
US-20070021620-A1 Process for the preparation of phenyl pyrazole compounds MERIAL LIMITED 2007-01-25 US disclosed
US-7129372-B2 Process for the preparation of phenyl pyrazole compounds BASF Agro B.V., Amhem (NL)—Wadenswil Branch (CH) 2006-10-31 US disclosed
EP-1378506-B1 Process for the preparation of phenyl pyrazole compounds BASF AGRO B V ARNHEM NL WAEDEN (CH) 2006-07-26 EP disclosed
US-20060052614-A1 Process for the preparation of phenyl pyrazole compounds MERIAL LIMITED 2006-03-09 US disclosed
EP-1378506-A1 Process for the preparation of phenyl pyrazole compounds Bayer CropScience S.A. (FR) 2004-01-07 EP 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-20070021620-A1 Process for the preparation of phenyl pyrazole compounds ALG3, KCNH3, KCNA3 PDE2A 4158/4885ALDH1A1 1848/4885HTT 3220/4885
US-20060052614-A1 Process for the preparation of phenyl pyrazole compounds F5, CYP4F3, ALG3 PDE2A 4078/4885ALDH1A1 1595/4885HTT 3549/4885

“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.