SCHEMBL3544499

SCHEMBL3544499

O=C1[C]C(=S)Nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PDGFRA P16234 1/20 0.45
FER P16591 1/20 0.45
LTK P29376 1/20 0.45
CDK8 P49336 1/20 0.45
ACVR1 Q04771 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 7/20 0.37
MAPT P10636 6/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
IDO1 P14902 2/20 0.37

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
SCHEMBL898371 0.79 LRRK2 (0.48) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL27467725 0.68 LRRK2 (0.61) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL28202262 0.68 MAOA (0.61) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL2095985 0.67 KMT2A (0.50) MAOAMAOBGSK3BALDH1A1MAPT
SCHEMBL6255304 0.66 LRRK2 (0.58) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL2420711 0.66 LRRK2 (0.90) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL366728 0.66
SCHEMBL12683716 0.66 ALDH1A1 (0.59) LRRK2MAOAMAOBPDGFRAFER
SCHEMBL2643929 0.66
SCHEMBL31108400 0.66 LRRK2 (0.46) LRRK2MAOAMAOBPDGFRAFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
US-7300946-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2007-11-27 US disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 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 (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-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR LRRK2 437/4885MAOA 1419/4885MAOB 581/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR LRRK2 447/4885MAOA 1436/4885MAOB 594/4885

“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.