SCHEMBL3989198

SCHEMBL3989198

Cc1nn(C)cc1C1=NOCC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LRRK2 Q5S007 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TNNI3 P19429 1/20 0.30
S100A4 P26447 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 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
SCHEMBL16341708 0.59 ALDH1A1 (0.42) COMTALDH1A1LRRK2PIK3CDPIK3CA
SCHEMBL26195687 0.57 COMT (0.41) COMTALDH1A1LRRK2SMN1; SMN2
SCHEMBL16341650 0.57 COMT (0.41) COMTALDH1A1LRRK2PIK3CDSMN1; SMN2
SCHEMBL14996594 0.57 SMN1; SMN2 (0.51) COMTALDH1A1LRRK2SMN1; SMN2KDM4E
SCHEMBL3761896 0.57 COMT (0.49) COMTALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL32683341 0.57 ALDH1A1 (0.40) COMTALDH1A1LRRK2PIK3CDPIK3CB
SCHEMBL30143564 0.56 COMT (0.41) COMTALDH1A1LRRK2SMN1; SMN2KDM4E
SCHEMBL26066818 0.56 COMT (0.40) COMTALDH1A1LRRK2SMN1; SMN2HPGD
SCHEMBL31192195 0.56 NOTUM (0.42) COMTALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL20187336 0.56 COMT (0.40) COMTALDH1A1LRRK2SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557067-B2 Pyrazole sulfonylurea compound and herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20080064600-A1 Pyrazole Sulfonylurea Compound and Herbicide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-03-13 US 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-20080064600-A1 Pyrazole Sulfonylurea Compound and Herbicide GLP1R, MSRB3, PDXK COMT 2999/4885ALDH1A1 893/4885LRRK2 2308/4885

“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.